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

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-prop-2-enoxy-phenyl)-(4-methylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-(4-methylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(4-chloro-2-fluoro-N-[(4-methyl-3-pyridinyl)-oxomethyl]-5-prop-2-enoxyanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-(4-methylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-(4-methylnicotinoyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C24H22ClFN2O5 MolecularWeight: 472.893283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)C(=O)N(C2=CC(=C(C=C2F)Cl)OCC=C)C(=O)C3=C(CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=NC=C1)C(=O)N(C2=CC(=C(C=C2F)Cl)OCC=C)C(=O)C3=C(CCCC3)C(=O)O

InChI

InChI=1S/C24H22ClFN2O5/c1-3-10-33-21-12-20(19(26)11-18(21)25)28(23(30)17-13-27-9-8-14(17)2)22(29)15-6-4-5-7-16(15)24(31)32/h3,8-9,11-13H,1,4-7,10H2,2H3,(H,31,32)