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

Systemtic Name: (phenylmethyl) (3S,4S)-4-fluoranyl-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate Openeye Name: benzyl (3S,4S)-4-fluoro-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate CAS Name: (3S,4S)-4-fluoro-3-(2-phenyl-1H-indol-3-yl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4S)-4-fluoro-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate Traditional Name: (3S,4S)-4-fluoro-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylic acid benzyl ester Formula: C27H25FN2O2 MolecularWeight: 428.498003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1F)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H25FN2O2/c28-23-15-16-30(27(31)32-18-19-9-3-1-4-10-19)17-22(23)25-21-13-7-8-14-24(21)29-26(25)20-11-5-2-6-12-20/h1-14,22-23,29H,15-18H2/t22-,23-/m0/s1