2-[3-(3,3-dimethyl-2-oxidanylidene-butoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-(3,3-dimethyl-2-oxidanylidene-butoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-(3,3-dimethyl-2-oxo-butoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(2-keto-3,3-dimethyl-butoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H25NO4/c1-13-8-9-16-17(10-13)20(25)22(19(16)24)14-6-5-7-15(11-14)26-12-18(23)21(2,3)4/h5-8,11,16-17H,9-10,12H2,1-4H3