(3,3-dimethyl-2-oxidanylidene-butyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-phthalimidobenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H19NO5 MolecularWeight: 365.37926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19NO5/c1-21(2,3)17(23)12-27-20(26)13-8-10-14(11-9-13)22-18(24)15-6-4-5-7-16(15)19(22)25/h4-11H,12H2,1-3H3