1-[3,5-bis(chloranyl)-2-methoxy-phenyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[3,5-bis(chloranyl)-2-methoxy-phenyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6-benzyloxy-1-(3,5-dichloro-2-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(3,5-dichloro-2-methoxyphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(3,5-dichloro-2-methoxyphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6-benzoxy-1-(3,5-dichloro-2-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline Formula: C23H21Cl2NO2 MolecularWeight: 414.32434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C2C3=C(CCN2)C=C(C=C3)OCC4=CC=CC=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C2C3=C(CCN2)C=C(C=C3)OCC4=CC=CC=C4)Cl)Cl

InChI

InChI=1S/C23H21Cl2NO2/c1-27-23-20(12-17(24)13-21(23)25)22-19-8-7-18(11-16(19)9-10-26-22)28-14-15-5-3-2-4-6-15/h2-8,11-13,22,26H,9-10,14H2,1H3