4-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: 4-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 4-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 4-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 4-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C21H15F2NO5 MolecularWeight: 399.344306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O)OC(F)F

InChI

InChI=1S/C21H15F2NO5/c1-28-18-11-12(6-9-17(18)29-21(22)23)10-14(19(25)20(26)27)16-8-7-13-4-2-3-5-15(13)24-16/h2-11,21H,1H3,(H,26,27)