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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-(4-ethylanilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H24N2O4 MolecularWeight: 440.49046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O4/c1-4-19-7-12-23(13-8-19)29-26(30)22(17-28)15-20-9-14-24(25(16-20)32-3)33-27(31)21-10-5-18(2)6-11-21/h5-16H,4H2,1-3H3,(H,29,30)/b22-15+