(3-phenoxyphenyl)methyl 2-(5-bromanyl-1,3-dihydroisoindol-2-yl)-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-(5-bromanyl-1,3-dihydroisoindol-2-yl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(5-bromoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(5-bromo-1,3-dihydroisoindol-2-yl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(5-bromo-1,3-dihydroisoindol-2-yl)-3-methylbutanoate Traditional Name: 2-(5-bromoisoindolin-2-yl)-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C26H26BrNO3 MolecularWeight: 480.39354

Click to see the large picture

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrNO3/c1-18(2)25(28-15-20-11-12-22(27)14-21(20)16-28)26(29)30-17-19-7-6-10-24(13-19)31-23-8-4-3-5-9-23/h3-14,18,25H,15-17H2,1-2H3