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

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-prop-2-enoxy-phenyl)-(5-methoxycarbonylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-(5-methoxycarbonylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(4-chloro-2-fluoro-N-[(5-methoxycarbonyl-3-pyridinyl)-oxomethyl]-5-prop-2-enoxyanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-(5-methoxycarbonylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-(5-carbomethoxynicotinoyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C25H22ClFN2O7 MolecularWeight: 516.902783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=CC(=C1)C(=O)N(C2=CC(=C(C=C2F)Cl)OCC=C)C(=O)C3=C(CCCC3)C(=O)O

Isomeric SMILES

COC(=O)C1=CN=CC(=C1)C(=O)N(C2=CC(=C(C=C2F)Cl)OCC=C)C(=O)C3=C(CCCC3)C(=O)O

InChI

InChI=1S/C25H22ClFN2O7/c1-3-8-36-21-11-20(19(27)10-18(21)26)29(23(31)16-6-4-5-7-17(16)24(32)33)22(30)14-9-15(13-28-12-14)25(34)35-2/h3,9-13H,1,4-8H2,2H3,(H,32,33)