1-(2-chloranyl-3,4-dimethoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-(2-chloranyl-3,4-dimethoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-(2-chloro-3,4-dimethoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(2-chloro-3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(2-chloro-3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(2-chloro-3,4-dimethoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(NCCC2=C1)C3=C(C(=C(C=C3)OC)OC)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2C(NCCC2=C1)C3=C(C(=C(C=C3)OC)OC)Cl)OCC

InChI

InChI=1S/C21H26ClNO4/c1-5-26-17-11-13-9-10-23-20(15(13)12-18(17)27-6-2)14-7-8-16(24-3)21(25-4)19(14)22/h7-8,11-12,20,23H,5-6,9-10H2,1-4H3