Chemical ID: 4109492

CCOC(=O)C(=Cc1ccc(c(c1)OC)OC(=O)C=Cc2ccc(cc2)C)C#N
Chemical ID:
4109492
Name [?]:
ethyl 2-cyano-3-[3-methoxy-4-[3-(p-tolyl)prop-2-enoyloxy]phenyl]-prop-2-enoate
SMILES [?]:
CCOC(=O)C(=Cc1ccc(c(c1)OC)OC(=O)C=Cc2ccc(cc2)C)C#N
InChi [?]:
InChI=1/C23H21NO5/c1-4-28-23(26)19(15-24)13-18-9-11-20(21(14-18)27-3)29-22(25)12-10-17-7-5-16(2)6-8-17/h5-14H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,15,2,23,25,22,26,9,20,10,19,7,13,28,24,21,8,6,11,12,17,4,29,18,5,14,3,16/E:(5,6)(7,8)/rA:29nCCOCOCCCCCCCCOCOCOCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s24;s6;t28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21NO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.99039
Area:613.5
Solvation:-5.34712
Coulombic:-50.0793
Bond Count [?]
All:30
Single:19
Double:10
Rotors:9
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:391.417
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.73
LogP (Chemaxon):4.41

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Descriptor Annotations

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