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

Systemtic Name: 1-[1-benzothiophen-2-yl-(4-bromophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(4-bromophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(4-bromophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(4-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=C(C=C2)Br)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4S3

InChI

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