tert-butyl (3R)-3-[(S)-(3-bromophenyl)-oxidanyl-methyl]-4-oxidanylidene-piperidine-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-[(S)-(3-bromophenyl)-oxidanyl-methyl]-4-oxidanylidene-piperidine-1-carboxylate Openeye Name: tert-butyl (3R)-3-[(S)-(3-bromophenyl)-hydroxy-methyl]-4-oxo-piperidine-1-carboxylate CAS Name: (3R)-3-[(S)-(3-bromophenyl)-hydroxymethyl]-4-oxo-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[(S)-(3-bromophenyl)-hydroxymethyl]-4-oxopiperidine-1-carboxylate Traditional Name: (3R)-3-[(S)-(3-bromophenyl)-hydroxy-methyl]-4-keto-piperidine-1-carboxylic acid tert-butyl ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=O)C(C1)C(C2=CC(=CC=C2)Br)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=O)[C@H](C1)[C@@H](C2=CC(=CC=C2)Br)O

InChI

InChI=1S/C17H22BrNO4/c1-17(2,3)23-16(22)19-8-7-14(20)13(10-19)15(21)11-5-4-6-12(18)9-11/h4-6,9,13,15,21H,7-8,10H2,1-3H3/t13-,15+/m0/s1