methyl (2S,5S,6S)-6-(4-bromophenyl)-5-methyl-piperidine-2-carboxylate

Systemtic Name: methyl (2S,5S,6S)-6-(4-bromophenyl)-5-methyl-piperidine-2-carboxylate Openeye Name: methyl (2S,5S,6S)-6-(4-bromophenyl)-5-methyl-piperidine-2-carboxylate CAS Name: (2S,5S,6S)-6-(4-bromophenyl)-5-methyl-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,5S,6S)-6-(4-bromophenyl)-5-methylpiperidine-2-carboxylate Traditional Name: (2S,5S,6S)-6-(4-bromophenyl)-5-methyl-pipecolinic acid methyl ester Formula: C14H18BrNO2 MolecularWeight: 312.20222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(NC1C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

C[C@H]1CC[C@H](N[C@@H]1C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C14H18BrNO2/c1-9-3-8-12(14(17)18-2)16-13(9)10-4-6-11(15)7-5-10/h4-7,9,12-13,16H,3,8H2,1-2H3/t9-,12-,13-/m0/s1