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

Systemtic Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-5,5-dimethyl-2-pentanoyl-cyclohex-2-en-1-one Openeye Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-5,5-dimethyl-2-pentanoyl-cyclohex-2-en-1-one CAS Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-5,5-dimethyl-2-(1-oxopentyl)-1-cyclohex-2-enone IUPAC Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-5,5-dimethyl-2-pentanoylcyclohex-2-en-1-one Traditional Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-5,5-dimethyl-2-valeryl-cyclohex-2-en-1-one Formula: C25H37NO4 MolecularWeight: 415.56558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=CC(=C(C=C2)OCC)OCC

Isomeric SMILES

CCCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=CC(=C(C=C2)OCC)OCC

InChI

InChI=1S/C25H37NO4/c1-6-9-10-20(27)24-19(16-25(4,5)17-21(24)28)26-14-13-18-11-12-22(29-7-2)23(15-18)30-8-3/h11-12,15,26H,6-10,13-14,16-17H2,1-5H3