2-[(4-chloranyl-2-fluoranyl-5-prop-2-ynoxy-phenyl)-(2-chloranylpropanoyl)carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-prop-2-ynoxy-phenyl)-(2-chloranylpropanoyl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-chloro-2-fluoro-5-prop-2-ynoxy-phenyl)-(2-chloropropanoyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(4-chloro-N-(2-chloro-1-oxopropyl)-2-fluoro-5-prop-2-ynoxyanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-(2-chloropropanoyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(4-chloro-2-fluoro-5-propargyloxy-phenyl)-(2-chloropropanoyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C20H18Cl2FNO5 MolecularWeight: 442.265023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1=CC(=C(C=C1F)Cl)OCC#C)C(=O)C2=C(CCCC2)C(=O)O)Cl

Isomeric SMILES

CC(C(=O)N(C1=CC(=C(C=C1F)Cl)OCC#C)C(=O)C2=C(CCCC2)C(=O)O)Cl

InChI

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