(3-phenoxyphenyl)methyl 3-methyl-2-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 3-methyl-2-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]butanoate Openeye Name: (3-phenoxyphenyl)methyl 3-methyl-2-[5-(trifluoromethyl)isoindolin-2-yl]butanoate CAS Name: 3-methyl-2-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 3-methyl-2-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]butanoate Traditional Name: 3-methyl-2-[5-(trifluoromethyl)isoindolin-2-yl]butyric acid (3-phenoxybenzyl) ester Formula: C27H26F3NO3 MolecularWeight: 469.49545

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)N3CC4=C(C3)C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)N3CC4=C(C3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C27H26F3NO3/c1-18(2)25(31-15-20-11-12-22(27(28,29)30)14-21(20)16-31)26(32)33-17-19-7-6-10-24(13-19)34-23-8-4-3-5-9-23/h3-14,18,25H,15-17H2,1-2H3