methyl 3-[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoate Openeye Name: methyl 3-[4-(5-chloro-2-hydroxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoate CAS Name: 3-[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoate Traditional Name: 3-[4-(5-chloro-2-hydroxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]propionic acid methyl ester Formula: C20H15ClF3NO4 MolecularWeight: 425.78561

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

COC(=O)CCC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C20H15ClF3NO4/c1-29-17(27)7-4-12-18(14-9-11(21)3-6-16(14)26)13-8-10(20(22,23)24)2-5-15(13)25-19(12)28/h2-3,5-6,8-9,26H,4,7H2,1H3,(H,25,28)