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

Systemtic Name: 2-[4-[4,4-dimethyl-6-oxidanylidene-2-(phenethylamino)cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4,4-dimethyl-6-oxo-2-(phenethylamino)-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[6-keto-4,4-dimethyl-2-(phenethylamino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H30N2O4/c1-28(2)17-22(29-15-14-19-9-4-3-5-10-19)25(24(32)18-28)23(31)13-8-16-30-26(33)20-11-6-7-12-21(20)27(30)34/h3-7,9-12,29H,8,13-18H2,1-2H3