5-(4-azanylphenoxy)-2-[4-(3,4-dimethylphenoxy)phenyl]isoindole-1,3-dione

Systemtic Name: 5-(4-azanylphenoxy)-2-[4-(3,4-dimethylphenoxy)phenyl]isoindole-1,3-dione Openeye Name: 5-(4-aminophenoxy)-2-[4-(3,4-dimethylphenoxy)phenyl]isoindoline-1,3-dione CAS Name: 5-(4-aminophenoxy)-2-[4-(3,4-dimethylphenoxy)phenyl]isoindole-1,3-dione IUPAC Name: 5-(4-aminophenoxy)-2-[4-(3,4-dimethylphenoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-(4-aminophenoxy)-2-[4-(3,4-dimethylphenoxy)phenyl]isoindoline-1,3-quinone Formula: C28H22N2O4 MolecularWeight: 450.48528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=C(C=C5)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=C(C=C5)N)C

InChI

InChI=1S/C28H22N2O4/c1-17-3-8-23(15-18(17)2)33-22-11-6-20(7-12-22)30-27(31)25-14-13-24(16-26(25)28(30)32)34-21-9-4-19(29)5-10-21/h3-16H,29H2,1-2H3