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Chemical ID: 5669170

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccc(c3)OC)O

Chemical ID:

5669170

Name [?]:

4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(3-methoxyphenyl)-pyrrolidine-2,3-dione

SMILES [?]:

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccc(c3)OC)O

InChi [?]:

InChI=1/C23H25NO6/c1-4-30-17-10-8-15(9-11-17)21(25)19-20(16-6-5-7-18(14-16)29-3)24(12-13-28-2)23(27)22(19)26/h5-11,14,20,25H,4,12-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,29,2,24,23,25,6,8,5,9,18,19,27,7,22,4,26,11,12,10,16,14,13,30,17,15,20,28,3/E:(8,9)(10,11)/rA:30cCCOCCCCCCCCCNCOCOCCOCCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s12;s22;d23;s24;d25;d22s26;s26;s28;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅NO₆
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	6.97513
Area:	593.461
Solvation:	-7.86138
Coulombic:	-65.2359

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	411.448
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.62
LogP (Chemaxon):	1.44

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value