bis(phenylmethyl) (3S,4R)-4-(1-methylindol-2-yl)carbonyl-2-oxidanylidene-piperidine-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) (3S,4R)-4-(1-methylindol-2-yl)carbonyl-2-oxidanylidene-piperidine-1,3-dicarboxylate Openeye Name: dibenzyl (3S,4R)-4-(1-methylindole-2-carbonyl)-2-oxo-piperidine-1,3-dicarboxylate CAS Name: (3S,4R)-4-[(1-methyl-2-indolyl)-oxomethyl]-2-oxopiperidine-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (3S,4R)-4-(1-methylindole-2-carbonyl)-2-oxopiperidine-1,3-dicarboxylate Traditional Name: (3S,4R)-2-keto-4-(1-methylindole-2-carbonyl)piperidine-1,3-dicarboxylic acid dibenzyl ester Formula: C31H28N2O6 MolecularWeight: 524.56382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)C3CCN(C(=O)C3C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)[C@@H]3CCN(C(=O)[C@H]3C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O6/c1-32-25-15-9-8-14-23(25)18-26(32)28(34)24-16-17-33(31(37)39-20-22-12-6-3-7-13-22)29(35)27(24)30(36)38-19-21-10-4-2-5-11-21/h2-15,18,24,27H,16-17,19-20H2,1H3/t24-,27+/m1/s1