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

Systemtic Name: 2-[[2-methyl-4-[3-(trifluoromethyloxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[2-methyl-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[2-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[2-methyl-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[[2-methyl-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid Formula: C21H18F3NO4 MolecularWeight: 405.36713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=CC=C2)OC(F)(F)F)NC(=O)C3=C(CCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=CC=C2)OC(F)(F)F)NC(=O)C3=C(CCC3)C(=O)O

InChI

InChI=1S/C21H18F3NO4/c1-12-10-14(13-4-2-5-15(11-13)29-21(22,23)24)8-9-18(12)25-19(26)16-6-3-7-17(16)20(27)28/h2,4-5,8-11H,3,6-7H2,1H3,(H,25,26)(H,27,28)