2-[4-[4,4-dimethyl-2-[(2-methylphenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4,4-dimethyl-2-[(2-methylphenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4,4-dimethyl-2-(2-methylanilino)-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4,4-dimethyl-2-(2-methylanilino)-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4,4-dimethyl-2-(2-methylanilino)-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[6-keto-4,4-dimethyl-2-(o-toluidino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=O)CC(C2)(C)C)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=O)CC(C2)(C)C)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H28N2O4/c1-17-9-4-7-12-20(17)28-21-15-27(2,3)16-23(31)24(21)22(30)13-8-14-29-25(32)18-10-5-6-11-19(18)26(29)33/h4-7,9-12,28H,8,13-16H2,1-3H3