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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]pipecolinic acid Formula: C26H24N2O3S MolecularWeight: 444.54536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H24N2O3S/c29-26(30)22-14-6-7-16-28(22)24(25-27-21-13-4-5-15-23(21)32-25)18-9-8-12-20(17-18)31-19-10-2-1-3-11-19/h1-5,8-13,15,17,22,24H,6-7,14,16H2,(H,29,30)