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

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(4-methylpyridin-3-yl)carbonyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(4-methylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluoro-N-[(4-methyl-3-pyridinyl)-oxomethyl]anilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-(4-methylpyridine-3-carbonyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(4-methylnicotinoyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C25H22ClFN2O5 MolecularWeight: 484.903983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)C(=O)N(C2=CC(=C(C=C2F)Cl)OC(C)C#C)C(=O)C3=C(CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=NC=C1)C(=O)N(C2=CC(=C(C=C2F)Cl)OC(C)C#C)C(=O)C3=C(CCCC3)C(=O)O

InChI

InChI=1S/C25H22ClFN2O5/c1-4-15(3)34-22-12-21(20(27)11-19(22)26)29(24(31)18-13-28-10-9-14(18)2)23(30)16-7-5-6-8-17(16)25(32)33/h1,9-13,15H,5-8H2,2-3H3,(H,32,33)