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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)CC(C2)(C)C)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)CC(C2)(C)C)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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