[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-phenylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-phenylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C26H22N2O4 MolecularWeight: 426.46388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O4/c1-31-16-15-28-25(29)23(18-27)17-19-7-13-24(14-8-19)32-26(30)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-14,17H,15-16H2,1H3,(H,28,29)/b23-17+