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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-benzyloxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-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=C(C=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

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