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

Systemtic Name: 1-[(2-bromanyl-5-methoxy-phenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[(2-bromo-5-methoxy-phenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[(2-bromo-5-methoxyphenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[(2-bromo-5-methoxyphenyl)methyl]-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(2-bromo-5-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=C(C=CC(=C3)OC)Br

Isomeric SMILES

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

InChI

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