4-(phenethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-(phenethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-(phenethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-(phenethylamino)-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-(phenethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-(phenethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C19H15F3N2O2 MolecularWeight: 360.32981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C3C=CC=C(C3=NC=C2C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C3C=CC=C(C3=NC=C2C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O2/c20-19(21,22)15-8-4-7-13-16(14(18(25)26)11-24-17(13)15)23-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,23,24)(H,25,26)