[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)phenyl] 4-[4-(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[4-(2-methylbutan-2-yl)phenoxy]butanoic acid [4-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)phenyl] 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(4-tert-amylphenoxy)butyric acid (4-phthalimidophenyl) ester Formula: C29H29NO5 MolecularWeight: 471.54426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C29H29NO5/c1-4-29(2,3)20-11-15-22(16-12-20)34-19-7-10-26(31)35-23-17-13-21(14-18-23)30-27(32)24-8-5-6-9-25(24)28(30)33/h5-6,8-9,11-18H,4,7,10,19H2,1-3H3