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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-bromophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3-bromophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-bromophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-bromophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3-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(=CC=C2)Br)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC4=CC=CC=C4S3

InChI

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