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

Systemtic Name: [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-3-[(4-chlorobenzyl)amino]-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H23ClN2O4 MolecularWeight: 474.93552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=C(C=C2)Cl)OC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=C(C=C2)Cl)OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C27H23ClN2O4/c1-3-33-25-15-20(9-12-24(25)34-27(32)21-6-4-5-18(2)13-21)14-22(16-29)26(31)30-17-19-7-10-23(28)11-8-19/h4-15H,3,17H2,1-2H3,(H,30,31)/b22-14+