Molecule ID: 443747

IUPAC Name: methyl N-[2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl]-N-methylcarbamate

Description: The molecule is a member of the class of cyclohexenones that is cyclohex-2-en-1-one in which the hydrogens at position 4 have been replaced by a 3,4-dimethoxyphenyl and a 2-[(methoxycarbonyl)(methyl)amino]ethyl group. The compound has been used in enantioselective syntheses of Scleretium alkaloids. It is a carbamate ester, an enone, an aromatic ether and a member of cyclohexenones.

SMILES: COC(=O)N(C)CC[C@@]1(c2ccc(OC)c(OC)c2)C=CC(=O)CC1

SELFIES: [C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@@][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][C][C][Ring1][P]

InChI: InChI=1S/C19H25NO5/c1-20(18(22)25-4)12-11-19(9-7-15(21)8-10-19)14-5-6-16(23-2)17(13-14)24-3/h5-7,9,13H,8,10-12H2,1-4H3/t19-/m1/s1

Molecular Properties:
- Polar Surface Area: 65.099 Ų
- LogP: 2.6