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

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-methoxycarbonyl-phenyl)-pyridin-3-ylcarbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonyl-phenyl)-(pyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonyl-N-[oxo(3-pyridinyl)methyl]anilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonylphenyl)-(pyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-carbomethoxy-4-chloro-2-fluoro-phenyl)-nicotinoyl-carbamoyl]cyclohexene-1-carboxylic acid Formula: C22H18ClFN2O6 MolecularWeight: 460.839523

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClFN2O6/c1-32-22(31)15-9-18(17(24)10-16(15)23)26(19(27)12-5-4-8-25-11-12)20(28)13-6-2-3-7-14(13)21(29)30/h4-5,8-11H,2-3,6-7H2,1H3,(H,29,30)