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

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(2-chloranylethanoyl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(2-chloroacetyl)-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-N-(2-chloro-1-oxoethyl)-2-fluoroanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-(2-chloroacetyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(2-chloroacetyl)-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C20H18Cl2FNO5 MolecularWeight: 442.265023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2FNO5/c1-3-11(2)29-17-9-16(15(23)8-14(17)22)24(18(25)10-21)19(26)12-6-4-5-7-13(12)20(27)28/h1,8-9,11H,4-7,10H2,2H3,(H,27,28)