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

Systemtic Name: 1-[1-benzothiophen-3-yl-[2,3-bis(chloranyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2,3-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2,3-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2,3-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2,3-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=C(C(=CC=C2)Cl)Cl)C3=CSC4=CC=CC=C43

Isomeric SMILES

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

InChI

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