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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3-benzyloxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3-benzoxyphenyl)methyl]isonipecotic acid Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H26N2O3S/c30-27(31)20-13-15-29(16-14-20)25(26-28-23-11-4-5-12-24(23)33-26)21-9-6-10-22(17-21)32-18-19-7-2-1-3-8-19/h1-12,17,20,25H,13-16,18H2,(H,30,31)