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

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(C)(C)C

InChI

InChI=1S/C23H25NO4/c1-15-11-12-19(18(14-15)23(2,3)4)28-20(25)10-7-13-24-21(26)16-8-5-6-9-17(16)22(24)27/h5-6,8-9,11-12,14H,7,10,13H2,1-4H3