[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2,2-diphenylethylamino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,2-diphenylethylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC=CC=C3

InChI

InChI=1S/C26H23N3O4/c27-16-15-24(30)29-22-13-11-21(12-14-22)26(32)33-18-25(31)28-17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15,17-18H2,(H,28,31)(H,29,30)