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

Systemtic Name: 2-[5-cyano-2-methyl-3-[8-(trifluoromethyl)quinolin-4-yl]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-2-methyl-3-[8-(trifluoromethyl)-4-quinolyl]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-2-methyl-3-[8-(trifluoromethyl)-4-quinolinyl]-1-indolyl]acetic acid IUPAC Name: 2-[5-cyano-2-methyl-3-[8-(trifluoromethyl)quinolin-4-yl]indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-2-methyl-3-[8-(trifluoromethyl)-4-quinolyl]indol-1-yl]acetic acid Formula: C22H14F3N3O2 MolecularWeight: 409.36067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14F3N3O2/c1-12-20(16-9-13(10-26)5-6-18(16)28(12)11-19(29)30)14-7-8-27-21-15(14)3-2-4-17(21)22(23,24)25/h2-9H,11H2,1H3,(H,29,30)