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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C=CN=C12)C3=C(N(C4=C3C=C(C=C4)C(F)(F)F)CC(=O)O)C

Isomeric SMILES

CC1=CC=CC2=C(C=CN=C12)C3=C(N(C4=C3C=C(C=C4)C(F)(F)F)CC(=O)O)C

InChI

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