ethyl (2S,5R)-5-(2-methylphenyl)-1-[2-(phenylmethoxycarbonylamino)ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,5R)-5-(2-methylphenyl)-1-[2-(phenylmethoxycarbonylamino)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,5R)-1-[2-(benzyloxycarbonylamino)acetyl]-5-(o-tolyl)pyrrolidine-2-carboxylate CAS Name: (2S,5R)-5-(2-methylphenyl)-1-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,5R)-5-(2-methylphenyl)-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S,5R)-1-[2-(benzyloxycarbonylamino)acetyl]-5-(o-tolyl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(N1C(=O)CNC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C24H28N2O5/c1-3-30-23(28)21-14-13-20(19-12-8-7-9-17(19)2)26(21)22(27)15-25-24(29)31-16-18-10-5-4-6-11-18/h4-12,20-21H,3,13-16H2,1-2H3,(H,25,29)/t20-,21+/m1/s1