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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

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