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

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-ethanoyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[acetyl-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(N-acetyl-5-but-3-yn-2-yloxy-4-chloro-2-fluoroanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[acetyl-(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[acetyl-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C20H19ClFNO5 MolecularWeight: 407.819963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClFNO5/c1-4-11(2)28-18-10-17(16(22)9-15(18)21)23(12(3)24)19(25)13-7-5-6-8-14(13)20(26)27/h1,9-11H,5-8H2,2-3H3,(H,26,27)