(phenylmethyl) (3S,4S)-4-(5-chloranyl-2-phenyl-1H-indol-3-yl)-3-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S,4S)-4-(5-chloranyl-2-phenyl-1H-indol-3-yl)-3-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl (3S,4S)-4-(5-chloro-2-phenyl-1H-indol-3-yl)-3-hydroxy-piperidine-1-carboxylate CAS Name: (3S,4S)-4-(5-chloro-2-phenyl-1H-indol-3-yl)-3-hydroxy-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4S)-4-(5-chloro-2-phenyl-1H-indol-3-yl)-3-hydroxypiperidine-1-carboxylate Traditional Name: (3S,4S)-4-(5-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=C(C=C3)Cl)C4=CC=CC=C4)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(C[C@H]([C@@H]1C2=C(NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25ClN2O3/c28-20-11-12-23-22(15-20)25(26(29-23)19-9-5-2-6-10-19)21-13-14-30(16-24(21)31)27(32)33-17-18-7-3-1-4-8-18/h1-12,15,21,24,29,31H,13-14,16-17H2/t21-,24-/m1/s1