2-[[5-but-3-yn-2-yloxy-2,4-bis(chloranyl)phenyl]-pyridin-3-ylcarbonyl-carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[[5-but-3-yn-2-yloxy-2,4-bis(chloranyl)phenyl]-pyridin-3-ylcarbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[2,4-dichloro-5-(1-methylprop-2-ynoxy)phenyl]-(pyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(5-but-3-yn-2-yloxy-2,4-dichloro-N-[oxo(3-pyridinyl)methyl]anilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-but-3-yn-2-yloxy-2,4-dichlorophenyl)-(pyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[2,4-dichloro-5-(1-methylprop-2-ynoxy)phenyl]-nicotinoyl-carbamoyl]cyclohexene-1-carboxylic acid Formula: C24H20Cl2N2O5 MolecularWeight: 487.332

Click to see the large picture

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=CN=CC=C3)Cl)Cl

Isomeric SMILES

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)C3=CN=CC=C3)Cl)Cl

InChI

InChI=1S/C24H20Cl2N2O5/c1-3-14(2)33-21-12-20(18(25)11-19(21)26)28(22(29)15-7-6-10-27-13-15)23(30)16-8-4-5-9-17(16)24(31)32/h1,6-7,10-14H,4-5,8-9H2,2H3,(H,31,32)