2-[(4-chloranyl-2-fluoranyl-5-methoxycarbonyl-phenyl)-(5-methoxycarbonylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-methoxycarbonyl-phenyl)-(5-methoxycarbonylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonyl-phenyl)-(5-methoxycarbonylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonyl-N-[(5-methoxycarbonyl-3-pyridinyl)-oxomethyl]anilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonylphenyl)-(5-methoxycarbonylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-carbomethoxy-4-chloro-2-fluoro-phenyl)-(5-carbomethoxynicotinoyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C24H20ClFN2O8 MolecularWeight: 518.875603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1Cl)F)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C3=CC(=CN=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1Cl)F)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C3=CC(=CN=C3)C(=O)OC

InChI

InChI=1S/C24H20ClFN2O8/c1-35-23(33)13-7-12(10-27-11-13)20(29)28(21(30)14-5-3-4-6-15(14)22(31)32)19-8-16(24(34)36-2)17(25)9-18(19)26/h7-11H,3-6H2,1-2H3,(H,31,32)