1-[1-benzothiophen-2-yl-(2-bromophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(2-bromophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2-bromophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2-bromophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(2-bromophenyl)methyl]nipecotic acid Formula: C21H20BrNO2S MolecularWeight: 430.358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2Br)C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2Br)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C21H20BrNO2S/c22-17-9-3-2-8-16(17)20(23-11-5-7-15(13-23)21(24)25)19-12-14-6-1-4-10-18(14)26-19/h1-4,6,8-10,12,15,20H,5,7,11,13H2,(H,24,25)