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

Systemtic Name: 2-[5-chloranyl-2-methyl-3-[8-(trifluoromethyl)quinolin-4-yl]indol-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-2-methyl-3-[8-(trifluoromethyl)-4-quinolyl]indol-1-yl]acetic acid CAS Name: 2-[5-chloro-2-methyl-3-[8-(trifluoromethyl)-4-quinolinyl]-1-indolyl]acetic acid IUPAC Name: 2-[5-chloro-2-methyl-3-[8-(trifluoromethyl)quinolin-4-yl]indol-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-methyl-3-[8-(trifluoromethyl)-4-quinolyl]indol-1-yl]acetic acid Formula: C21H14ClF3N2O2 MolecularWeight: 418.79627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=C4C=CC=C(C4=NC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=C4C=CC=C(C4=NC=C3)C(F)(F)F

InChI

InChI=1S/C21H14ClF3N2O2/c1-11-19(15-9-12(22)5-6-17(15)27(11)10-18(28)29)13-7-8-26-20-14(13)3-2-4-16(20)21(23,24)25/h2-9H,10H2,1H3,(H,28,29)