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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]isonipecotic acid Formula: C20H18Cl2N2O2S MolecularWeight: 421.34012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18Cl2N2O2S/c21-13-5-6-14(15(22)11-13)18(24-9-7-12(8-10-24)20(25)26)19-23-16-3-1-2-4-17(16)27-19/h1-6,11-12,18H,7-10H2,(H,25,26)