2-(4-butoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(4-butoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(4-butoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(4-butoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(4-butoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(4-butoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)C3CC(=C(CC3C2=O)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C3CC(=C(CC3C2=O)C)C

InChI

InChI=1S/C20H25NO3/c1-4-5-10-24-16-8-6-15(7-9-16)21-19(22)17-11-13(2)14(3)12-18(17)20(21)23/h6-9,17-18H,4-5,10-12H2,1-3H3