(phenylmethyl) (2S)-2-[[cyano(phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[cyano(phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[cyano(phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[cyano(phenyl)methyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[cyano(phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[cyano(phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(C#N)C3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c22-14-18(17-10-5-2-6-11-17)23-20(25)19-12-7-13-24(19)21(26)27-15-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-13,15H2,(H,23,25)/t18?,19-/m0/s1