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

Systemtic Name: 2-[4-[4,4-dimethyl-6-oxidanylidene-2-(propylamino)cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4,4-dimethyl-6-oxo-2-(propylamino)cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4,4-dimethyl-6-oxo-2-(propylamino)-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4,4-dimethyl-6-oxo-2-(propylamino)cyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[6-keto-4,4-dimethyl-2-(propylamino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=O)CC(C1)(C)C)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCNC1=C(C(=O)CC(C1)(C)C)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H28N2O4/c1-4-11-24-17-13-23(2,3)14-19(27)20(17)18(26)10-7-12-25-21(28)15-8-5-6-9-16(15)22(25)29/h5-6,8-9,24H,4,7,10-14H2,1-3H3