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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

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