(phenylmethyl) (2S)-2-[[3-(4-acetamidophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(4-acetamidophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(4-acetamidophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-(4-acetamidophenyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(4-acetamidophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(4-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=C(C=C1)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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