6,6-dimethyl-3-[3-[2-(1-oxidanylbutan-2-ylamino)-6-oxidanylidene-cyclohexen-1-yl]-3-oxidanylidene-propyl]-5,7-dihydro-1,2-benzoxazol-4-one

Systemtic Name: 6,6-dimethyl-3-[3-[2-(1-oxidanylbutan-2-ylamino)-6-oxidanylidene-cyclohexen-1-yl]-3-oxidanylidene-propyl]-5,7-dihydro-1,2-benzoxazol-4-one Openeye Name: 3-[3-[2-[1-(hydroxymethyl)propylamino]-6-oxo-cyclohexen-1-yl]-3-oxo-propyl]-6,6-dimethyl-5,7-dihydro-1,2-benzoxazol-4-one CAS Name: 3-[3-[2-(1-hydroxybutan-2-ylamino)-6-oxo-1-cyclohexenyl]-3-oxopropyl]-6,6-dimethyl-5,7-dihydro-1,2-benzoxazol-4-one IUPAC Name: 3-[3-[2-(1-hydroxybutan-2-ylamino)-6-oxocyclohexen-1-yl]-3-oxopropyl]-6,6-dimethyl-5,7-dihydro-1,2-benzoxazol-4-one Traditional Name: 3-[3-keto-3-[6-keto-2-(1-methylolpropylamino)cyclohexen-1-yl]propyl]-6,6-dimethyl-5,7-dihydroindoxazen-4-one Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C(=O)CCC1)C(=O)CCC2=NOC3=C2C(=O)CC(C3)(C)C

Isomeric SMILES

CCC(CO)NC1=C(C(=O)CCC1)C(=O)CCC2=NOC3=C2C(=O)CC(C3)(C)C

InChI

InChI=1S/C22H30N2O5/c1-4-13(12-25)23-14-6-5-7-16(26)20(14)17(27)9-8-15-21-18(28)10-22(2,3)11-19(21)29-24-15/h13,23,25H,4-12H2,1-3H3