4-(4-fluorophenyl)-3-(isoquinolin-6-ylmethoxy)piperidine-1-carboxylic acid

Systemtic Name: 4-(4-fluorophenyl)-3-(isoquinolin-6-ylmethoxy)piperidine-1-carboxylic acid Openeye Name: 4-(4-fluorophenyl)-3-(6-isoquinolylmethoxy)piperidine-1-carboxylic acid CAS Name: 4-(4-fluorophenyl)-3-(6-isoquinolinylmethoxy)-1-piperidinecarboxylic acid IUPAC Name: 4-(4-fluorophenyl)-3-(isoquinolin-6-ylmethoxy)piperidine-1-carboxylic acid Traditional Name: 4-(4-fluorophenyl)-3-(6-isoquinolylmethoxy)piperidine-1-carboxylic acid Formula: C22H21FN2O3 MolecularWeight: 380.412143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)F)OCC3=CC4=C(C=C3)C=NC=C4)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)F)OCC3=CC4=C(C=C3)C=NC=C4)C(=O)O

InChI

InChI=1S/C22H21FN2O3/c23-19-5-3-16(4-6-19)20-8-10-25(22(26)27)13-21(20)28-14-15-1-2-18-12-24-9-7-17(18)11-15/h1-7,9,11-12,20-21H,8,10,13-14H2,(H,26,27)