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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]pipecolinic acid Formula: C21H19Cl2NO2S MolecularWeight: 420.35206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=C(C=C2)Cl)Cl)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=C(C=C2)Cl)Cl)C3=CSC4=CC=CC=C43

InChI

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