(3S,4S)-2-[(2-bromophenyl)methyl]-4-butyl-3-methyl-1,3-dihydroisoquinolin-4-ol

Systemtic Name: (3S,4S)-2-[(2-bromophenyl)methyl]-4-butyl-3-methyl-1,3-dihydroisoquinolin-4-ol Openeye Name: (3S,4S)-2-[(2-bromophenyl)methyl]-4-butyl-3-methyl-1,3-dihydroisoquinolin-4-ol CAS Name: (3S,4S)-2-[(2-bromophenyl)methyl]-4-butyl-3-methyl-1,3-dihydroisoquinolin-4-ol IUPAC Name: (3S,4S)-2-[(2-bromophenyl)methyl]-4-butyl-3-methyl-1,3-dihydroisoquinolin-4-ol Traditional Name: (3S,4S)-2-(2-bromobenzyl)-4-butyl-3-methyl-1,3-dihydroisoquinolin-4-ol Formula: C21H26BrNO MolecularWeight: 388.34124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(N(CC2=CC=CC=C21)CC3=CC=CC=C3Br)C)O

Isomeric SMILES

CCCC[C@]1([C@@H](N(CC2=CC=CC=C21)CC3=CC=CC=C3Br)C)O

InChI

InChI=1S/C21H26BrNO/c1-3-4-13-21(24)16(2)23(14-17-9-5-7-11-19(17)21)15-18-10-6-8-12-20(18)22/h5-12,16,24H,3-4,13-15H2,1-2H3/t16-,21+/m0/s1