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

Systemtic Name: [3-[(E)-2-cyano-3-[1-(4-methylphenyl)ethylamino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [3-[(E)-2-cyano-3-oxo-3-[1-(p-tolyl)ethylamino]prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-[(E)-2-cyano-3-[1-(4-methylphenyl)ethylamino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-[1-(4-methylphenyl)ethylamino]-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-[(E)-2-cyano-3-keto-3-[1-(p-tolyl)ethylamino]prop-1-enyl]phenyl] ester Formula: C27H24N2O4 MolecularWeight: 440.49046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(C)NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C27H24N2O4/c1-18-7-9-21(10-8-18)19(2)29-26(30)23(17-28)15-20-5-4-6-25(16-20)33-27(31)22-11-13-24(32-3)14-12-22/h4-16,19H,1-3H3,(H,29,30)/b23-15+