2-[(3R,4R)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-4-yl]ethanal

Systemtic Name: 2-[(3R,4R)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-4-yl]ethanal Openeye Name: 2-[(3R,4R)-2-benzyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-4-yl]acetaldehyde CAS Name: 2-[(3R,4R)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-4-yl]acetaldehyde IUPAC Name: 2-[(3R,4R)-2-benzyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-4-yl]acetaldehyde Traditional Name: 2-[(3R,4R)-2-benzyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-4-yl]acetaldehyde Formula: C28H31NO5 MolecularWeight: 461.54944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C3=CC(=C(C=C3CN2CC4=CC=CC=C4)OC)OC)CC=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@@H](C3=CC(=C(C=C3CN2CC4=CC=CC=C4)OC)OC)CC=O)OC

InChI

InChI=1S/C28H31NO5/c1-31-24-11-10-20(14-25(24)32-2)28-22(12-13-30)23-16-27(34-4)26(33-3)15-21(23)18-29(28)17-19-8-6-5-7-9-19/h5-11,13-16,22,28H,12,17-18H2,1-4H3/t22-,28+/m1/s1