2-[2,5-dimethyl-3-[8-(trifluoromethyl)quinolin-4-yl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-3-[8-(trifluoromethyl)quinolin-4-yl]indol-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-3-[8-(trifluoromethyl)-4-quinolyl]indol-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-3-[8-(trifluoromethyl)-4-quinolinyl]-1-indolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-3-[8-(trifluoromethyl)quinolin-4-yl]indol-1-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-3-[8-(trifluoromethyl)-4-quinolyl]indol-1-yl]acetic acid Formula: C22H17F3N2O2 MolecularWeight: 398.37779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C)CC(=O)O

InChI

InChI=1S/C22H17F3N2O2/c1-12-6-7-18-16(10-12)20(13(2)27(18)11-19(28)29)14-8-9-26-21-15(14)4-3-5-17(21)22(23,24)25/h3-10H,11H2,1-2H3,(H,28,29)