2-[2-(3,4-diethoxyphenyl)ethanoyl]-5,5-dimethyl-3-(phenethylamino)cyclohex-2-en-1-one

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)ethanoyl]-5,5-dimethyl-3-(phenethylamino)cyclohex-2-en-1-one Openeye Name: 2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(phenethylamino)cyclohex-2-en-1-one CAS Name: 2-[2-(3,4-diethoxyphenyl)-1-oxoethyl]-5,5-dimethyl-3-(phenethylamino)-1-cyclohex-2-enone IUPAC Name: 2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(phenethylamino)cyclohex-2-en-1-one Traditional Name: 2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(phenethylamino)cyclohex-2-en-1-one Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)NCCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)NCCC3=CC=CC=C3)OCC

InChI

InChI=1S/C28H35NO4/c1-5-32-25-13-12-21(17-26(25)33-6-2)16-23(30)27-22(18-28(3,4)19-24(27)31)29-15-14-20-10-8-7-9-11-20/h7-13,17,29H,5-6,14-16,18-19H2,1-4H3