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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)Cl)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)Cl)C3=CSC4=CC=CC=C43

InChI

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