3-[aminocarbonyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-(methoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 3-[aminocarbonyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-(methoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-carbamoyl-amino]-2-(methoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-carbamoylamino]-2-(methoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-carbamoylamino]-2-(methoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbamoyl-amino]-2-(methoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C23H20F9N3O4 MolecularWeight: 573.408229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1C(CC2=C(N1C(=O)O)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N

Isomeric SMILES

COCC1C(CC2=C(N1C(=O)O)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N

InChI

InChI=1S/C23H20F9N3O4/c1-39-10-18-17(7-12-6-13(21(24,25)26)2-3-16(12)35(18)20(37)38)34(19(33)36)9-11-4-14(22(27,28)29)8-15(5-11)23(30,31)32/h2-6,8,17-18H,7,9-10H2,1H3,(H2,33,36)(H,37,38)