(1R,3R)-7-bromanyl-1,3-dimethyl-8-phenylmethoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1R,3R)-7-bromanyl-1,3-dimethyl-8-phenylmethoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: (1R,3R)-2-benzyl-8-benzyloxy-7-bromo-1,3-dimethyl-3,4-dihydro-1H-isoquinoline CAS Name: (1R,3R)-7-bromo-1,3-dimethyl-8-phenylmethoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: (1R,3R)-2-benzyl-7-bromo-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: (1R,3R)-8-benzoxy-2-benzyl-7-bromo-1,3-dimethyl-3,4-dihydro-1H-isoquinoline Formula: C25H26BrNO MolecularWeight: 436.38404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(N1CC3=CC=CC=C3)C)C(=C(C=C2)Br)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC2=C([C@H](N1CC3=CC=CC=C3)C)C(=C(C=C2)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26BrNO/c1-18-15-22-13-14-23(26)25(28-17-21-11-7-4-8-12-21)24(22)19(2)27(18)16-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3/t18-,19-/m1/s1