(3aR,7aS)-2-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aR,7aS)-2-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aR,7aS)-2-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aR,7aS)-2-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aR,7aS)-2-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aR,7aS)-2-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CCN3C(=O)C4CC=CCC4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)OC

InChI

InChI=1S/C20H21N3O5/c1-26-15-8-7-12(11-16(15)27-2)18-21-17(28-22-18)9-10-23-19(24)13-5-3-4-6-14(13)20(23)25/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3/t13-,14+