ethyl 1-[2-(2,4-dimethoxyphenyl)-6-fluoranyl-quinolin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(2,4-dimethoxyphenyl)-6-fluoranyl-quinolin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(2,4-dimethoxyphenyl)-6-fluoro-quinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(2,4-dimethoxyphenyl)-6-fluoro-4-quinolinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,4-dimethoxyphenyl)-6-fluoroquinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(2,4-dimethoxyphenyl)-6-fluoro-quinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C26H27FN2O5 MolecularWeight: 466.501383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C26H27FN2O5/c1-4-34-26(31)16-6-5-11-29(15-16)25(30)21-14-23(28-22-10-7-17(27)12-20(21)22)19-9-8-18(32-2)13-24(19)33-3/h7-10,12-14,16H,4-6,11,15H2,1-3H3