ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]carbamoyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]carbamoyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[[2,8-bis(trifluoromethyl)-4-quinolyl]carbamoyl]isoxazole-3-carboxylate CAS Name: 5-[[[2,8-bis(trifluoromethyl)-4-quinolinyl]amino]-oxomethyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]carbamoyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[[2,8-bis(trifluoromethyl)-4-quinolyl]carbamoyl]isoxazole-3-carboxylic acid ethyl ester Formula: C18H11F6N3O4 MolecularWeight: 447.288059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C(=O)NC2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C(=O)NC2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H11F6N3O4/c1-2-30-16(29)11-6-12(31-27-11)15(28)25-10-7-13(18(22,23)24)26-14-8(10)4-3-5-9(14)17(19,20)21/h3-7H,2H2,1H3,(H,25,26,28)