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

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-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=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2Br)C3=CSC4=CC=CC=C43)C(=O)O

InChI

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