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

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-methoxycarbonyl-phenyl)-(4-methylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonyl-phenyl)-(4-methylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonyl-N-[(4-methyl-3-pyridinyl)-oxomethyl]anilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonylphenyl)-(4-methylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-carbomethoxy-4-chloro-2-fluoro-phenyl)-(4-methylnicotinoyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C23H20ClFN2O6 MolecularWeight: 474.866103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)C(=O)N(C2=C(C=C(C(=C2)C(=O)OC)Cl)F)C(=O)C3=C(CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=NC=C1)C(=O)N(C2=C(C=C(C(=C2)C(=O)OC)Cl)F)C(=O)C3=C(CCCC3)C(=O)O

InChI

InChI=1S/C23H20ClFN2O6/c1-12-7-8-26-11-16(12)21(29)27(20(28)13-5-3-4-6-14(13)22(30)31)19-9-15(23(32)33-2)17(24)10-18(19)25/h7-11H,3-6H2,1-2H3,(H,30,31)