2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(5-methoxycarbonylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(5-methoxycarbonylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(5-methoxycarbonylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluoro-N-[(5-methoxycarbonyl-3-pyridinyl)-oxomethyl]anilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-(5-methoxycarbonylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-carbomethoxynicotinoyl)-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C26H22ClFN2O7 MolecularWeight: 528.913483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C3=CC(=CN=C3)C(=O)OC)F)Cl

Isomeric SMILES

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C3=CC(=CN=C3)C(=O)OC)F)Cl

InChI

InChI=1S/C26H22ClFN2O7/c1-4-14(2)37-22-11-21(20(28)10-19(22)27)30(24(32)17-7-5-6-8-18(17)25(33)34)23(31)15-9-16(13-29-12-15)26(35)36-3/h1,9-14H,5-8H2,2-3H3,(H,33,34)