(2-tert-butyl-4-methyl-phenyl) 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 6-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 6-(1,3-dioxo-2-isoindolyl)hexanoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 6-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-phthalimidohexanoic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)C(C)(C)C

InChI

InChI=1S/C25H29NO4/c1-17-13-14-21(20(16-17)25(2,3)4)30-22(27)12-6-5-9-15-26-23(28)18-10-7-8-11-19(18)24(26)29/h7-8,10-11,13-14,16H,5-6,9,12,15H2,1-4H3