(phenylmethyl) (3R,4R)-3-(2-cyclohexyl-6-fluoranyl-1H-indol-3-yl)-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3R,4R)-3-(2-cyclohexyl-6-fluoranyl-1H-indol-3-yl)-4-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl (3R,4R)-3-(2-cyclohexyl-6-fluoro-1H-indol-3-yl)-4-hydroxy-piperidine-1-carboxylate CAS Name: (3R,4R)-3-(2-cyclohexyl-6-fluoro-1H-indol-3-yl)-4-hydroxy-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,4R)-3-(2-cyclohexyl-6-fluoro-1H-indol-3-yl)-4-hydroxypiperidine-1-carboxylate Traditional Name: (3R,4R)-3-(2-cyclohexyl-6-fluoro-1H-indol-3-yl)-4-hydroxy-piperidine-1-carboxylic acid benzyl ester Formula: C27H31FN2O3 MolecularWeight: 450.545043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C3=C(N2)C=C(C=C3)F)C4CN(CCC4O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(C3=C(N2)C=C(C=C3)F)[C@@H]4CN(CC[C@H]4O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H31FN2O3/c28-20-11-12-21-23(15-20)29-26(19-9-5-2-6-10-19)25(21)22-16-30(14-13-24(22)31)27(32)33-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,15,19,22,24,29,31H,2,5-6,9-10,13-14,16-17H2/t22-,24-/m1/s1