[3-[(E)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate

Systemtic Name: [3-[(E)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [3-[(E)-2-cyano-3-(4-ethylanilino)-3-oxo-prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-[(E)-2-cyano-3-(4-ethylanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C26H22N2O4/c1-3-18-7-11-22(12-8-18)28-25(29)21(17-27)15-19-5-4-6-24(16-19)32-26(30)20-9-13-23(31-2)14-10-20/h4-16H,3H2,1-2H3,(H,28,29)/b21-15+