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

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-carboxy-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[carboxy-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(5-but-3-yn-2-yloxy-N-carboxy-4-chloro-2-fluoroanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-carboxycarbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[carboxy-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C19H17ClFNO6 MolecularWeight: 409.792783

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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)O)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClFNO6/c1-3-10(2)28-16-9-15(14(21)8-13(16)20)22(19(26)27)17(23)11-6-4-5-7-12(11)18(24)25/h1,8-10H,4-7H2,2H3,(H,24,25)(H,26,27)