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

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(2-phenoxyethanoyl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(2-phenoxyacetyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluoro-N-(1-oxo-2-phenoxyethyl)anilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-(2-phenoxyacetyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(2-phenoxyacetyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C26H23ClFNO6 MolecularWeight: 499.915323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)COC2=CC=CC=C2)C(=O)C3=C(CCCC3)C(=O)O)F)Cl

Isomeric SMILES

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)COC2=CC=CC=C2)C(=O)C3=C(CCCC3)C(=O)O)F)Cl

InChI

InChI=1S/C26H23ClFNO6/c1-3-16(2)35-23-14-22(21(28)13-20(23)27)29(24(30)15-34-17-9-5-4-6-10-17)25(31)18-11-7-8-12-19(18)26(32)33/h1,4-6,9-10,13-14,16H,7-8,11-12,15H2,2H3,(H,32,33)