ethyl 1-[3-[[(2-fluorophenyl)methylamino]methyl]-6,7-dimethoxy-quinolin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[[(2-fluorophenyl)methylamino]methyl]-6,7-dimethoxy-quinolin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[[(2-fluorophenyl)methylamino]methyl]-6,7-dimethoxy-2-quinolyl]piperidine-3-carboxylate CAS Name: 1-[3-[[(2-fluorophenyl)methylamino]methyl]-6,7-dimethoxy-2-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[(2-fluorophenyl)methylamino]methyl]-6,7-dimethoxyquinolin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-[[(2-fluorobenzyl)amino]methyl]-6,7-dimethoxy-2-quinolyl]nipecotic acid ethyl ester Formula: C27H32FN3O4 MolecularWeight: 481.559083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)CNCC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)CNCC4=CC=CC=C4F

InChI

InChI=1S/C27H32FN3O4/c1-4-35-27(32)19-9-7-11-31(17-19)26-21(16-29-15-18-8-5-6-10-22(18)28)12-20-13-24(33-2)25(34-3)14-23(20)30-26/h5-6,8,10,12-14,19,29H,4,7,9,11,15-17H2,1-3H3