3-[5-(3,4-dimethylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[5-(3,4-dimethylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-benzoic acid Openeye Name: 3-[5-(3,4-dimethylphenoxy)-1,3-dioxo-isoindolin-2-yl]-4-methyl-benzoic acid CAS Name: 3-[5-(3,4-dimethylphenoxy)-1,3-dioxo-2-isoindolyl]-4-methylbenzoic acid IUPAC Name: 3-[5-(3,4-dimethylphenoxy)-1,3-dioxoisoindol-2-yl]-4-methylbenzoic acid Traditional Name: 3-[5-(3,4-dimethylphenoxy)-1,3-diketo-isoindolin-2-yl]-4-methyl-benzoic acid Formula: C24H19NO5 MolecularWeight: 401.41136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=CC(=C4)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=CC(=C4)C(=O)O)C)C

InChI

InChI=1S/C24H19NO5/c1-13-5-7-17(10-15(13)3)30-18-8-9-19-20(12-18)23(27)25(22(19)26)21-11-16(24(28)29)6-4-14(21)2/h4-12H,1-3H3,(H,28,29)