(phenylmethyl) (2S)-2-[[3-(1-methylindol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(1-methylindol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(1-methylindol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-(1-methyl-5-indolyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(1-methylindol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(1-methylindol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)C3=CC(=CC=C3)NC(=O)C4CCCN4C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)C3=CC(=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c1-30-16-14-23-17-22(12-13-25(23)30)21-9-5-10-24(18-21)29-27(32)26-11-6-15-31(26)28(33)34-19-20-7-3-2-4-8-20/h2-5,7-10,12-14,16-18,26H,6,11,15,19H2,1H3,(H,29,32)/t26-/m0/s1