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

Systemtic Name: (3-phenoxyphenyl)methyl 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(5-methoxyisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-3-methylbutanoate Traditional Name: 2-(5-methoxyisoindolin-2-yl)-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C27H29NO4 MolecularWeight: 431.52346

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO4/c1-19(2)26(28-16-21-12-13-24(30-3)15-22(21)17-28)27(29)31-18-20-8-7-11-25(14-20)32-23-9-5-4-6-10-23/h4-15,19,26H,16-18H2,1-3H3