2-butanoyl-3-[hydroxymethyl(propyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-3-[hydroxymethyl(propyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 2-butanoyl-3-[hydroxymethyl(propyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[hydroxymethyl(propyl)amino]-5,5-dimethyl-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-3-[hydroxymethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-butyryl-5,5-dimethyl-3-[methylol(propyl)amino]cyclohex-2-en-1-one Formula: C16H27NO3 MolecularWeight: 281.39048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)(C)C)N(CCC)CO

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)(C)C)N(CCC)CO

InChI

InChI=1S/C16H27NO3/c1-5-7-13(19)15-12(17(11-18)8-6-2)9-16(3,4)10-14(15)20/h18H,5-11H2,1-4H3