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

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(phenylcarbonyl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[benzoyl-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(N-benzoyl-5-but-3-yn-2-yloxy-4-chloro-2-fluoroanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[benzoyl-(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[benzoyl-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C25H21ClFNO5 MolecularWeight: 469.889343

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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=CC=C3)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=CC=C3)F)Cl

InChI

InChI=1S/C25H21ClFNO5/c1-3-15(2)33-22-14-21(20(27)13-19(22)26)28(23(29)16-9-5-4-6-10-16)24(30)17-11-7-8-12-18(17)25(31)32/h1,4-6,9-10,13-15H,7-8,11-12H2,2H3,(H,31,32)