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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

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