2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-imidazol-2-yl)-3-oxidanyl-isoindol-1-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-imidazol-2-yl)-3-oxidanyl-isoindol-1-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-3-(1H-imidazol-2-yl)isoindolin-1-one CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-3-(1H-imidazol-2-yl)-1-isoindolone IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one Traditional Name: 2-homoveratryl-3-hydroxy-3-(1H-imidazol-2-yl)isoindolin-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3C2(C4=NC=CN4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3C2(C4=NC=CN4)O)OC

InChI

InChI=1S/C21H21N3O4/c1-27-17-8-7-14(13-18(17)28-2)9-12-24-19(25)15-5-3-4-6-16(15)21(24,26)20-22-10-11-23-20/h3-8,10-11,13,26H,9,12H2,1-2H3,(H,22,23)