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

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)ethanoyl]-5,5-dimethyl-3-[(phenylmethyl)amino]cyclohex-2-en-1-one Openeye Name: 3-(benzylamino)-2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[2-(3,4-diethoxyphenyl)-1-oxoethyl]-5,5-dimethyl-3-[(phenylmethyl)amino]-1-cyclohex-2-enone IUPAC Name: 3-(benzylamino)-2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-(benzylamino)-2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C27H33NO4 MolecularWeight: 435.55522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3)OCC

InChI

InChI=1S/C27H33NO4/c1-5-31-24-13-12-20(15-25(24)32-6-2)14-22(29)26-21(16-27(3,4)17-23(26)30)28-18-19-10-8-7-9-11-19/h7-13,15,28H,5-6,14,16-18H2,1-4H3