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Chemical ID: 7975815

CCOc1ccccc1OCCOc2cccc(c2)CN3C[C@H](CC3=O)C(=O)O

Chemical ID:

7975815

Name [?]:

1-[[3-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylic acid

SMILES [?]:

CCOc1ccccc1OCCOc2cccc(c2)CN3C[C@H](CC3=O)C(=O)O

InChi [?]:

InChI=1/C22H25NO6/c1-2-27-19-8-3-4-9-20(19)29-11-10-28-18-7-5-6-16(12-18)14-23-15-17(22(25)26)13-21(23)24/h3-9,12,17H,2,10-11,13-15H2,1H3,(H,25,26)/t17-/m0/s1

InChi Info:

AuxInfo=1/1/N:1,2,6,7,16,17,15,5,8,12,11,19,24,20,22,18,23,14,4,9,25,27,21,26,28,29,3,13,10/E:(25,26)/it:im/rA:29cCCOCCCCCCOCCOCCCCCCCNCCCCOCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s21;s22;s23;s21s24;d25;s23;d27;s27;/rC:-.0187,1.5258,.0104;.0021,-.0041,.002;.6709,-.4649,-1.1737;.6582,-1.824,-1.126;.057,-2.4758,-.0612;.0445,-3.8573,-.0145;.6314,-4.5917,-1.0282;1.2333,-3.9476,-2.0931;1.2439,-2.5631,-2.1492;1.8352,-1.928,-3.1963;2.3471,-2.9446,-4.0603;3.0289,-2.2939,-5.2655;4.1734,-1.5596,-4.8262;4.7345,-1.0072,-5.9339;4.1632,-1.2173,-7.1807;4.7352,-.6544,-8.3049;5.8763,.118,-8.1885;6.4477,.3285,-6.9475;5.8761,-.2277,-5.8192;7.6915,1.1704,-6.8243;7.3147,2.5708,-6.6166;7.0947,3.5383,-7.698;7.1563,4.9281,-7.0265;6.7566,4.5929,-5.5708;7.1205,3.1332,-5.4113;7.2285,2.5562,-4.35;6.1653,5.8745,-7.6536;5.4597,5.4976,-8.559;6.0666,7.1362,-7.2063;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅NO₆
All Atoms:	54
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	7.36506
Area:	652.492
Solvation:	-8.94723
Coulombic:	-62.2954

Bond Count [?]

All:	56
Single:	48
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	399.437
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.17
LogP (Chemaxon):	2.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value