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

Systemtic Name: (phenylmethyl) (3S,4S)-4-acetyloxy-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate Openeye Name: benzyl (3S,4S)-4-acetoxy-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate CAS Name: (3S,4S)-4-acetyloxy-3-(2-phenyl-1H-indol-3-yl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4S)-4-acetyloxy-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate Traditional Name: (3S,4S)-4-acetoxy-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylic acid benzyl ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCN(CC1C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O4/c1-20(32)35-26-16-17-31(29(33)34-19-21-10-4-2-5-11-21)18-24(26)27-23-14-8-9-15-25(23)30-28(27)22-12-6-3-7-13-22/h2-15,24,26,30H,16-19H2,1H3/t24-,26-/m0/s1