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

Systemtic Name: 2-[3-(8-fluoranylquinolin-4-yl)-2-methyl-5-(trifluoromethyl)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(8-fluoro-4-quinolyl)-2-methyl-5-(trifluoromethyl)indol-1-yl]acetic acid CAS Name: 2-[3-(8-fluoro-4-quinolinyl)-2-methyl-5-(trifluoromethyl)-1-indolyl]acetic acid IUPAC Name: 2-[3-(8-fluoroquinolin-4-yl)-2-methyl-5-(trifluoromethyl)indol-1-yl]acetic acid Traditional Name: 2-[3-(8-fluoro-4-quinolyl)-2-methyl-5-(trifluoromethyl)indol-1-yl]acetic acid Formula: C21H14F4N2O2 MolecularWeight: 402.341673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14F4N2O2/c1-11-19(13-7-8-26-20-14(13)3-2-4-16(20)22)15-9-12(21(23,24)25)5-6-17(15)27(11)10-18(28)29/h2-9H,10H2,1H3,(H,28,29)