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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O)C

InChI

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