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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]nipecotic acid Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)C

InChI

InChI=1S/C22H24N2O2S/c1-14-9-10-17(15(2)12-14)20(24-11-5-6-16(13-24)22(25)26)21-23-18-7-3-4-8-19(18)27-21/h3-4,7-10,12,16,20H,5-6,11,13H2,1-2H3,(H,25,26)