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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Br)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Br)C3=CSC4=CC=CC=C43

InChI

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