[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-phenethylbenzoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-phenethylbenzoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H22N2O4 MolecularWeight: 426.46388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C26H22N2O4/c1-31-24-16-19(15-21(17-27)25(28)29)12-14-23(24)32-26(30)22-10-6-5-9-20(22)13-11-18-7-3-2-4-8-18/h2-10,12,14-16H,11,13H2,1H3,(H2,28,29)/b21-15+