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

Systemtic Name: [4-[(Z)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[(Z)-2-cyano-3-(4-ethylanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(Z)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(Z)-2-cyano-3-(4-ethylanilino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C28H26N2O4 MolecularWeight: 454.51704

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(=CC=C3)C)OCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O4/c1-4-20-9-12-24(13-10-20)30-27(31)23(18-29)16-21-11-14-25(26(17-21)33-5-2)34-28(32)22-8-6-7-19(3)15-22/h6-17H,4-5H2,1-3H3,(H,30,31)/b23-16-