1,4-bis[4,4-dimethyl-2-(1-oxidanylbutan-2-ylamino)-6-oxidanylidene-cyclohexen-1-yl]butane-1,4-dione

Systemtic Name: 1,4-bis[4,4-dimethyl-2-(1-oxidanylbutan-2-ylamino)-6-oxidanylidene-cyclohexen-1-yl]butane-1,4-dione Openeye Name: 1,4-bis[2-[1-(hydroxymethyl)propylamino]-4,4-dimethyl-6-oxo-cyclohexen-1-yl]butane-1,4-dione CAS Name: 1,4-bis[2-(1-hydroxybutan-2-ylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]butane-1,4-dione IUPAC Name: 1,4-bis[2-(1-hydroxybutan-2-ylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]butane-1,4-dione Traditional Name: 1,4-bis[6-keto-4,4-dimethyl-2-(1-methylolpropylamino)cyclohexen-1-yl]butane-1,4-dione Formula: C28H44N2O6 MolecularWeight: 504.65876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C(=O)CC(C1)(C)C)C(=O)CCC(=O)C2=C(CC(CC2=O)(C)C)NC(CC)CO

Isomeric SMILES

CCC(CO)NC1=C(C(=O)CC(C1)(C)C)C(=O)CCC(=O)C2=C(CC(CC2=O)(C)C)NC(CC)CO

InChI

InChI=1S/C28H44N2O6/c1-7-17(15-31)29-19-11-27(3,4)13-23(35)25(19)21(33)9-10-22(34)26-20(30-18(8-2)16-32)12-28(5,6)14-24(26)36/h17-18,29-32H,7-16H2,1-6H3