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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

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