(phenylmethyl) (3S,4S)-3-oxidanyl-4-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S,4S)-3-oxidanyl-4-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate Openeye Name: benzyl (3S,4S)-3-hydroxy-4-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate CAS Name: (3S,4S)-3-hydroxy-4-(2-phenyl-1H-indol-3-yl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4S)-3-hydroxy-4-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate Traditional Name: (3S,4S)-3-hydroxy-4-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylic acid benzyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(C[C@H]([C@@H]1C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3/c30-24-17-29(27(31)32-18-19-9-3-1-4-10-19)16-15-22(24)25-21-13-7-8-14-23(21)28-26(25)20-11-5-2-6-12-20/h1-14,22,24,28,30H,15-18H2/t22-,24-/m1/s1