ethyl 1-[2-(2-fluorophenyl)-6-methyl-quinolin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-fluorophenyl)-6-methyl-quinolin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-fluorophenyl)-6-methyl-quinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2-fluorophenyl)-6-methyl-4-quinolinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-fluorophenyl)-6-methyl-quinoline-4-carbonyl]isonipecotic acid ethyl ester Formula: C25H25FN2O3 MolecularWeight: 420.476003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4F

InChI

InChI=1S/C25H25FN2O3/c1-3-31-25(30)17-10-12-28(13-11-17)24(29)20-15-23(18-6-4-5-7-21(18)26)27-22-9-8-16(2)14-19(20)22/h4-9,14-15,17H,3,10-13H2,1-2H3