[4-[(Z)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-octoxybenzoate

Systemtic Name: [4-[(Z)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-octoxybenzoate Openeye Name: [4-[(Z)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-[(Z)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[(Z)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)N(CC)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(/C#N)\C(=O)N(CC)CC

InChI

InChI=1S/C29H36N2O4/c1-4-7-8-9-10-11-20-34-26-18-14-24(15-19-26)29(33)35-27-16-12-23(13-17-27)21-25(22-30)28(32)31(5-2)6-3/h12-19,21H,4-11,20H2,1-3H3/b25-21-