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

Systemtic Name: 1-[1-benzothiophen-2-yl-[2,3-bis(chloranyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=C(C(=CC=C2)Cl)Cl)C3=CC4=CC=CC=C4S3

InChI

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