2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(6-chloranylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(6-chloranylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(6-chloropyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-N-[(6-chloro-3-pyridinyl)-oxomethyl]-2-fluoroanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-(6-chloropyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(6-chloronicotinoyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C24H19Cl2FN2O5 MolecularWeight: 505.322463

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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=CN=C(C=C3)Cl)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=CN=C(C=C3)Cl)F)Cl

InChI

InChI=1S/C24H19Cl2FN2O5/c1-3-13(2)34-20-11-19(18(27)10-17(20)25)29(22(30)14-8-9-21(26)28-12-14)23(31)15-6-4-5-7-16(15)24(32)33/h1,8-13H,4-7H2,2H3,(H,32,33)