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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-phenylphenyl)methyl]nipecotic acid Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C26H24N2O2S/c29-26(30)21-9-6-16-28(17-21)24(25-27-22-10-4-5-11-23(22)31-25)20-14-12-19(13-15-20)18-7-2-1-3-8-18/h1-5,7-8,10-15,21,24H,6,9,16-17H2,(H,29,30)