methyl (1R,3S)-1-(4-cyanophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl (1R,3S)-1-(4-cyanophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl (1R,3S)-1-(4-cyanophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (1R,3S)-1-(4-cyanophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-1-(4-cyanophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (1R,3S)-1-(4-cyanophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC(CC2=C1)C(=O)OC)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N[C@@H](CC2=C1)C(=O)OC)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C20H20N2O4/c1-24-17-9-14-8-16(20(23)26-3)22-19(15(14)10-18(17)25-2)13-6-4-12(11-21)5-7-13/h4-7,9-10,16,19,22H,8H2,1-3H3/t16-,19+/m0/s1