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

Systemtic Name: 2-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(3,3-dimethyl-2-oxo-butoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(3,3-dimethyl-2-oxobutoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(3,3-dimethyl-2-oxobutoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(2-keto-3,3-dimethyl-butoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CC(C)(C)C(=O)COC1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C20H23NO4/c1-20(2,3)17(22)12-25-14-10-8-13(9-11-14)21-18(23)15-6-4-5-7-16(15)19(21)24/h4-5,8-11,15-16H,6-7,12H2,1-3H3