(phenylmethyl) (2S)-2-[(2,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(2,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(2,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(2,5-dimethylanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(2,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-15-10-11-16(2)18(13-15)22-20(24)19-9-6-12-23(19)21(25)26-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,22,24)/t19-/m0/s1