1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C23H30BrNO3 MolecularWeight: 448.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=C(C=CC(=C2)OC)C(N1)CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCCCC1CC2=C(C=CC(=C2)OC)C(N1)CC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C23H30BrNO3/c1-5-6-7-17-10-15-11-18(26-2)8-9-19(15)21(25-17)12-16-13-22(27-3)23(28-4)14-20(16)24/h8-9,11,13-14,17,21,25H,5-7,10,12H2,1-4H3