2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-homoveratryl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3CC=CCC3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3CC=CCC3C2=O)OC

InChI

InChI=1S/C18H21NO4/c1-22-15-8-7-12(11-16(15)23-2)9-10-19-17(20)13-5-3-4-6-14(13)18(19)21/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3