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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C22H28BrNO2 MolecularWeight: 418.36722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=C(C=CC(=C2)OC)C(N1)CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCCC1CC2=C(C=CC(=C2)OC)C(N1)CC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H28BrNO2/c1-4-5-6-17-13-16-14-18(25-2)8-9-19(16)21(24-17)12-15-7-10-22(26-3)20(23)11-15/h7-11,14,17,21,24H,4-6,12-13H2,1-3H3