(phenylmethyl) (3S,4S)-4-(7-chloranyl-2-phenyl-1H-indol-3-yl)-3-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S,4S)-4-(7-chloranyl-2-phenyl-1H-indol-3-yl)-3-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl (3S,4S)-4-(7-chloro-2-phenyl-1H-indol-3-yl)-3-hydroxy-piperidine-1-carboxylate CAS Name: (3S,4S)-4-(7-chloro-2-phenyl-1H-indol-3-yl)-3-hydroxy-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4S)-4-(7-chloro-2-phenyl-1H-indol-3-yl)-3-hydroxypiperidine-1-carboxylate Traditional Name: (3S,4S)-4-(7-chloro-2-phenyl-1H-indol-3-yl)-3-hydroxy-piperidine-1-carboxylic acid benzyl ester Formula: C27H25ClN2O3 MolecularWeight: 460.952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=C(NC3=C2C=CC=C3Cl)C4=CC=CC=C4)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(C[C@H]([C@@H]1C2=C(NC3=C2C=CC=C3Cl)C4=CC=CC=C4)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25ClN2O3/c28-22-13-7-12-21-24(25(29-26(21)22)19-10-5-2-6-11-19)20-14-15-30(16-23(20)31)27(32)33-17-18-8-3-1-4-9-18/h1-13,20,23,29,31H,14-17H2/t20-,23-/m1/s1