[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 1,3-dihydroisoindole-2-carboxylate

Systemtic Name: [4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 1,3-dihydroisoindole-2-carboxylate Openeye Name: [4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] isoindoline-2-carboxylate CAS Name: 1,3-dihydroisoindole-2-carboxylic acid [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] ester IUPAC Name: [4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 1,3-dihydroisoindole-2-carboxylate Traditional Name: isoindoline-2-carboxylic acid [4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] ester Formula: C21H15F3N2O3 MolecularWeight: 400.35061

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN1C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2CN1C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H15F3N2O3/c22-21(23,24)16-5-10-19(25-11-16)28-17-6-8-18(9-7-17)29-20(27)26-12-14-3-1-2-4-15(14)13-26/h1-11H,12-13H2