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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-bromophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-bromophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-bromophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-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=C2)Br)C3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

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

InChI

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