Molecule ID: 442304

IUPAC Name: 5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol

Description: The molecule is the (R)-enantiomer of laudanine It derives from a (R)-norlaudanosoline. It is a conjugate base of a (R)-laudanine(1+). It is an enantiomer of a (S)-laudanine.

SMILES: COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1O

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C@@H1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][N][Ring1][=C][C][C][=C][Ring2][Ring1][=Branch1][O]

InChI: InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m1/s1

Molecular Properties:
- Polar Surface Area: 51.2 Ų
- LogP: 3.3