(3-phenoxyphenyl)methyl 2-(4-fluoranyl-1,3-dihydroisoindol-2-yl)-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-(4-fluoranyl-1,3-dihydroisoindol-2-yl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(4-fluoroisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutanoate Traditional Name: 2-(4-fluoroisoindolin-2-yl)-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C26H26FNO3 MolecularWeight: 419.487943

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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(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C26H26FNO3/c1-18(2)25(28-15-20-9-7-13-24(27)23(20)16-28)26(29)30-17-19-8-6-12-22(14-19)31-21-10-4-3-5-11-21/h3-14,18,25H,15-17H2,1-2H3