2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-pyridin-3-ylcarbonyl-carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-pyridin-3-ylcarbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxo-ethoxy)phenyl]-(pyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)-N-[oxo(3-pyridinyl)methyl]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]-(pyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[4-chloro-2-fluoro-5-(2-keto-2-methoxy-ethoxy)phenyl]-nicotinoyl-carbamoyl]cyclohexene-1-carboxylic acid Formula: C23H20ClFN2O7 MolecularWeight: 490.865503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C3=CN=CC=C3)F)Cl

Isomeric SMILES

COC(=O)COC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C3=CN=CC=C3)F)Cl

InChI

InChI=1S/C23H20ClFN2O7/c1-33-20(28)12-34-19-10-18(17(25)9-16(19)24)27(21(29)13-5-4-8-26-11-13)22(30)14-6-2-3-7-15(14)23(31)32/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,31,32)