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Chemical ID: 6909134

CCOc1ccc(cc1)C=CC(=O)Oc2ccc(cc2OCC)C=C(C#N)C(=O)OCC

Chemical ID:

6909134

Name [?]:

ethyl 2-cyano-3-[3-ethoxy-4-[3-(4-ethoxyphenyl)prop-2-enoyloxy]phenyl]-prop-2-enoate

SMILES [?]:

CCOc1ccc(cc1)C=CC(=O)Oc2ccc(cc2OCC)C=C(C#N)C(=O)OCC

InChi [?]:

InChI=1/C25H25NO6/c1-4-29-21-11-7-18(8-12-21)10-14-24(27)32-22-13-9-19(16-23(22)30-5-2)15-20(17-26)25(28)31-6-3/h7-16H,4-6H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,23,32,2,22,31,6,8,17,10,5,9,16,11,24,19,26,7,18,25,4,15,20,12,28,27,13,29,3,21,30,14/E:(7,8)(11,12)/rA:32nCCOCCCCCCCCCOOCCCCCCOCCCCCNCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s22;s18;w24;s25;t26;s25;d28;s28;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅NO₆
All Atoms:	57
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6461
Area:	710.059
Solvation:	-6.10534
Coulombic:	-57.6424

Bond Count [?]

All:	33
Single:	22
Double:	10
Rotors:	12
Chiral:	2
Rigid Segments:	9

Chemical Properties

Molecular Weight:	435.469
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	5.06
LogP (Chemaxon):	4.37

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