ethyl 1-[6-bromanyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-bromanyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-bromo-2-(trifluoromethyl)-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[6-bromo-2-(trifluoromethyl)-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-bromo-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-bromo-2-(trifluoromethyl)-4-quinolyl]isonipecotic acid ethyl ester Formula: C18H18BrF3N2O2 MolecularWeight: 431.24693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C18H18BrF3N2O2/c1-2-26-17(25)11-5-7-24(8-6-11)15-10-16(18(20,21)22)23-14-4-3-12(19)9-13(14)15/h3-4,9-11H,2,5-8H2,1H3