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

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

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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)O

Isomeric SMILES

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

InChI

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