(2-tert-butylphenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (2-tert-butylphenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (2-tert-butylphenyl) 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid (2-tert-butylphenyl) ester IUPAC Name: (2-tert-butylphenyl) 3-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-phthalimidobenzoic acid (2-tert-butylphenyl) ester Formula: C25H21NO4 MolecularWeight: 399.43854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H21NO4/c1-25(2,3)20-13-6-7-14-21(20)30-24(29)16-9-8-10-17(15-16)26-22(27)18-11-4-5-12-19(18)23(26)28/h4-15H,1-3H3