2-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)C(F)(F)F

InChI

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