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

Systemtic Name: (3-phenoxyphenyl)methyl 2-(4-chloranyl-1,3-dihydroisoindol-2-yl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(4-chloroisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(4-chloro-1,3-dihydroisoindol-2-yl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(4-chloro-1,3-dihydroisoindol-2-yl)-3-methylbutanoate Traditional Name: 2-(4-chloroisoindolin-2-yl)-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C26H26ClNO3 MolecularWeight: 435.94254

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO3/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