2,6,6-trimethyl-4-(octylamino)-5-oxidanyl-cyclohept-2-en-1-one

Systemtic Name: 2,6,6-trimethyl-4-(octylamino)-5-oxidanyl-cyclohept-2-en-1-one Openeye Name: 5-hydroxy-2,6,6-trimethyl-4-(octylamino)cyclohept-2-en-1-one CAS Name: 5-hydroxy-2,6,6-trimethyl-4-(octylamino)-1-cyclohept-2-enone IUPAC Name: 5-hydroxy-2,6,6-trimethyl-4-(octylamino)cyclohept-2-en-1-one Traditional Name: 5-hydroxy-2,6,6-trimethyl-4-(octylamino)cyclohept-2-en-1-one Formula: C18H33NO2 MolecularWeight: 295.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1C=C(C(=O)CC(C1O)(C)C)C

Isomeric SMILES

CCCCCCCCNC1C=C(C(=O)CC(C1O)(C)C)C

InChI

InChI=1S/C18H33NO2/c1-5-6-7-8-9-10-11-19-15-12-14(2)16(20)13-18(3,4)17(15)21/h12,15,17,19,21H,5-11,13H2,1-4H3