2-[[2-cyano-4-[3-(trifluoromethyloxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Systemtic Name: 2-[[2-cyano-4-[3-(trifluoromethyloxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[2-cyano-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[2-cyano-4-[3-(trifluoromethoxy)phenyl]anilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[2-cyano-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[[2-cyano-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid Formula: C21H15F3N2O4 MolecularWeight: 416.35001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C(=O)O)C(=O)NC2=C(C=C(C=C2)C3=CC(=CC=C3)OC(F)(F)F)C#N

Isomeric SMILES

C1CC(=C(C1)C(=O)O)C(=O)NC2=C(C=C(C=C2)C3=CC(=CC=C3)OC(F)(F)F)C#N

InChI

InChI=1S/C21H15F3N2O4/c22-21(23,24)30-15-4-1-3-12(10-15)13-7-8-18(14(9-13)11-25)26-19(27)16-5-2-6-17(16)20(28)29/h1,3-4,7-10H,2,5-6H2,(H,26,27)(H,28,29)