(4-oxidanylidene-4-phenyl-butyl) 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (4-oxo-4-phenyl-butyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (4-keto-4-phenyl-butyl) ester Formula: C20H18N2O4 MolecularWeight: 350.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C20H18N2O4/c21-13-12-19(24)22-17-10-8-16(9-11-17)20(25)26-14-4-7-18(23)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12,14H2,(H,22,24)