2-[(4-chloranyl-2-fluoranyl-5-methoxycarbonyl-phenyl)-(6-chloranylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-methoxycarbonyl-phenyl)-(6-chloranylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonyl-phenyl)-(6-chloropyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(4-chloro-N-[(6-chloro-3-pyridinyl)-oxomethyl]-2-fluoro-5-methoxycarbonylanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonylphenyl)-(6-chloropyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-carbomethoxy-4-chloro-2-fluoro-phenyl)-(6-chloronicotinoyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C22H17Cl2FN2O6 MolecularWeight: 495.284583

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2FN2O6/c1-33-22(32)14-8-17(16(25)9-15(14)23)27(19(28)11-6-7-18(24)26-10-11)20(29)12-4-2-3-5-13(12)21(30)31/h6-10H,2-5H2,1H3,(H,30,31)