2-[(5-butoxycarbonyl-4-chloranyl-2-fluoranyl-phenyl)-pyridin-3-ylcarbonyl-carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(5-butoxycarbonyl-4-chloranyl-2-fluoranyl-phenyl)-pyridin-3-ylcarbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(5-butoxycarbonyl-4-chloro-2-fluoro-phenyl)-(pyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[5-[butoxy(oxo)methyl]-4-chloro-2-fluoro-N-[oxo(3-pyridinyl)methyl]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-butoxycarbonyl-4-chloro-2-fluorophenyl)-(pyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-butoxycarbonyl-4-chloro-2-fluoro-phenyl)-nicotinoyl-carbamoyl]cyclohexene-1-carboxylic acid Formula: C25H24ClFN2O6 MolecularWeight: 502.919263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClFN2O6/c1-2-3-11-35-25(34)18-12-21(20(27)13-19(18)26)29(22(30)15-7-6-10-28-14-15)23(31)16-8-4-5-9-17(16)24(32)33/h6-7,10,12-14H,2-5,8-9,11H2,1H3,(H,32,33)