[2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N)C(=O)N

InChI

InChI=1S/C22H21N3O4/c23-12-15-6-1-2-8-17(15)18-9-3-4-10-19(18)22(28)29-14-20(26)25-11-5-7-16(13-25)21(24)27/h1-4,6,8-10,16H,5,7,11,13-14H2,(H2,24,27)/t16-/m1/s1