1-[1-benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]nipecotic acid Formula: C21H19Cl2NO2S MolecularWeight: 420.35206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CSC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H19Cl2NO2S/c22-17-8-7-13(10-18(17)23)20(24-9-3-4-14(11-24)21(25)26)16-12-27-19-6-2-1-5-15(16)19/h1-2,5-8,10,12,14,20H,3-4,9,11H2,(H,25,26)