2-[4-(4-tert-butylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C25H21NO5/c1-25(2,3)16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)26-22(27)20-13-4-15(24(29)30)14-21(20)23(26)28/h4-14H,1-3H3,(H,29,30)