1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2-bromophenyl)methyl]isonipecotic acid Formula: C21H20BrNO2S MolecularWeight: 430.358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2Br)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2Br)C3=CSC4=CC=CC=C43

InChI

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