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

Systemtic Name: 1-[1-benzothiophen-2-yl-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(4-chlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(4-chlorophenyl)methyl]nipecotic acid Formula: C21H20ClNO2S MolecularWeight: 385.907

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

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