[4-[(E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-methylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(3-methoxyanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-(3-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(m-anisidino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)OC)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)OC)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H24N2O5/c1-4-33-25-15-19(10-13-24(25)34-27(31)20-11-8-18(2)9-12-20)14-21(17-28)26(30)29-22-6-5-7-23(16-22)32-3/h5-16H,4H2,1-3H3,(H,29,30)/b21-14+