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

Systemtic Name: 1-[1-benzothiophen-2-yl-(2-chlorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2-chlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2-chlorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2-chlorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(2-chlorophenyl)methyl]pipecolinic acid Formula: C21H20ClNO2S MolecularWeight: 385.907

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2Cl)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2Cl)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H20ClNO2S/c22-16-9-3-2-8-15(16)20(23-12-6-5-10-17(23)21(24)25)19-13-14-7-1-4-11-18(14)26-19/h1-4,7-9,11,13,17,20H,5-6,10,12H2,(H,24,25)