2-butanoyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 2-butanoyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethyl-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-butyryl-3-(homoveratrylamino)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H31NO4/c1-6-7-17(24)21-16(13-22(2,3)14-18(21)25)23-11-10-15-8-9-19(26-4)20(12-15)27-5/h8-9,12,23H,6-7,10-11,13-14H2,1-5H3