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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H24N2O3S/c29-26(30)18-13-15-28(16-14-18)24(25-27-22-11-4-5-12-23(22)32-25)19-7-6-10-21(17-19)31-20-8-2-1-3-9-20/h1-12,17-18,24H,13-16H2,(H,29,30)