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

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-methoxycarbonyl-phenyl)-[(4-methylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonyl-phenyl)-[(4-methyl-3-pyridyl)methyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[4-chloro-2-fluoro-5-methoxycarbonyl-N-[(4-methyl-3-pyridinyl)methyl]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-methoxycarbonylphenyl)-[(4-methylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-carbomethoxy-4-chloro-2-fluoro-phenyl)-[(4-methyl-3-pyridyl)methyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C23H22ClFN2O5 MolecularWeight: 460.882583

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H22ClFN2O5/c1-13-7-8-26-11-14(13)12-27(21(28)15-5-3-4-6-16(15)22(29)30)20-9-17(23(31)32-2)18(24)10-19(20)25/h7-11H,3-6,12H2,1-2H3,(H,29,30)