(phenylmethyl) (2S)-2-[[3-(3-acetamidophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(3-acetamidophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(3-acetamidophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-(3-acetamidophenyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(3-acetamidophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(3-acetamidophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4/c1-19(31)28-23-12-5-10-21(16-23)22-11-6-13-24(17-22)29-26(32)25-14-7-15-30(25)27(33)34-18-20-8-3-2-4-9-20/h2-6,8-13,16-17,25H,7,14-15,18H2,1H3,(H,28,31)(H,29,32)/t25-/m0/s1