2-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3H-isoindol-1-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3H-isoindol-1-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]isoindolin-1-one CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3H-isoindol-1-one IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3H-isoindol-1-one Traditional Name: 2-homoveratryl-4-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]isoindolin-1-one Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC3=C(C2=O)C=CC=C3NC=C4C=CC(=O)C=C4O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC3=C(C2=O)C=CC=C3NC=C4C=CC(=O)C=C4O)OC

InChI

InChI=1S/C25H24N2O5/c1-31-23-9-6-16(12-24(23)32-2)10-11-27-15-20-19(25(27)30)4-3-5-21(20)26-14-17-7-8-18(28)13-22(17)29/h3-9,12-14,26,29H,10-11,15H2,1-2H3