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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]isonipecotic acid Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2S/c1-24(2,3)18-10-8-16(9-11-18)21(26-14-12-17(13-15-26)23(27)28)22-25-19-6-4-5-7-20(19)29-22/h4-11,17,21H,12-15H2,1-3H3,(H,27,28)