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

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-prop-2-enoxy-phenyl)-pyridin-3-ylcarbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-(pyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(4-chloro-2-fluoro-N-[oxo(3-pyridinyl)methyl]-5-prop-2-enoxyanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-(pyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-nicotinoyl-carbamoyl]cyclohexene-1-carboxylic acid Formula: C23H20ClFN2O5 MolecularWeight: 458.866703

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C3=CN=CC=C3)F)Cl

Isomeric SMILES

C=CCOC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C3=CN=CC=C3)F)Cl

InChI

InChI=1S/C23H20ClFN2O5/c1-2-10-32-20-12-19(18(25)11-17(20)24)27(21(28)14-6-5-9-26-13-14)22(29)15-7-3-4-8-16(15)23(30)31/h2,5-6,9,11-13H,1,3-4,7-8,10H2,(H,30,31)