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

Systemtic Name: methyl 3-[4-(5-chloranyl-2-methoxy-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoate Openeye Name: methyl 3-[4-(5-chloro-2-methoxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoate CAS Name: 3-[4-(5-chloro-2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-chloro-2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoate Traditional Name: 3-[4-(5-chloro-2-methoxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]propionic acid methyl ester Formula: C21H17ClF3NO4 MolecularWeight: 439.81219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=C(C(=O)NC3=C2C=C(C=C3)C(F)(F)F)CCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=C(C(=O)NC3=C2C=C(C=C3)C(F)(F)F)CCC(=O)OC

InChI

InChI=1S/C21H17ClF3NO4/c1-29-17-7-4-12(22)10-15(17)19-13(5-8-18(27)30-2)20(28)26-16-6-3-11(9-14(16)19)21(23,24)25/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,26,28)