[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C23H23N3O4/c24-14-13-20(27)25-19-11-9-18(10-12-19)23(29)30-21(17-7-3-1-4-8-17)22(28)26-15-5-2-6-16-26/h1,3-4,7-12,21H,2,5-6,13,15-16H2,(H,25,27)/t21-/m1/s1