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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethyl-2-(2-phenylethanoyl)cyclohex-2-en-1-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethyl-2-(2-phenylacetyl)cyclohex-2-en-1-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethyl-2-(1-oxo-2-phenylethyl)-1-cyclohex-2-enone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethyl-2-(2-phenylacetyl)cyclohex-2-en-1-one Traditional Name: 3-(homoveratrylamino)-5,5-dimethyl-2-(2-phenylacetyl)cyclohex-2-en-1-one Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)CC2=CC=CC=C2)NCCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)CC2=CC=CC=C2)NCCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C26H31NO4/c1-26(2)16-20(27-13-12-19-10-11-23(30-3)24(15-19)31-4)25(22(29)17-26)21(28)14-18-8-6-5-7-9-18/h5-11,15,27H,12-14,16-17H2,1-4H3