(E)-3-[4-[[2-ethyl-7-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinolin-4-yl]oxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[2-ethyl-7-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinolin-4-yl]oxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[2-ethyl-7-oxo-3-[3-(trifluoromethyl)phenyl]-1H-quinolin-4-yl]oxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[2-ethyl-7-oxo-3-[3-(trifluoromethyl)phenyl]-1H-quinolin-4-yl]oxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[2-ethyl-7-oxo-3-[3-(trifluoromethyl)phenyl]-1H-quinolin-4-yl]oxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[2-ethyl-7-keto-3-[3-(trifluoromethyl)phenyl]-1H-quinolin-4-yl]oxy]phenyl]acrylic acid Formula: C27H20F3NO4 MolecularWeight: 479.44721

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=CC(=O)C=C2N1)OC3=CC=C(C=C3)C=CC(=O)O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCC1=C(C(=C2C=CC(=O)C=C2N1)OC3=CC=C(C=C3)/C=C/C(=O)O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C27H20F3NO4/c1-2-22-25(17-4-3-5-18(14-17)27(28,29)30)26(21-12-9-19(32)15-23(21)31-22)35-20-10-6-16(7-11-20)8-13-24(33)34/h3-15,31H,2H2,1H3,(H,33,34)/b13-8+