(2R)-2-(1,3-benzodioxol-5-yl)-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-4-(dimethylamino)-1-phenyl-butan-2-ol

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-4-(dimethylamino)-1-phenyl-butan-2-ol Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-1-(6-bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-1-phenyl-butan-2-ol CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-1-(6-bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-1-phenyl-2-butanol IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-1-phenylbutan-2-ol Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-1-(6-bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-1-phenyl-butan-2-ol Formula: C29H29BrN2O4 MolecularWeight: 549.45556

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC2=C(C=C1)OCO2)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O

Isomeric SMILES

CN(C)CC[C@](C1=CC2=C(C=C1)OCO2)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O

InChI

InChI=1S/C29H29BrN2O4/c1-32(2)14-13-29(33,21-9-12-25-26(17-21)36-18-35-25)27(19-7-5-4-6-8-19)23-16-20-15-22(30)10-11-24(20)31-28(23)34-3/h4-12,15-17,27,33H,13-14,18H2,1-3H3/t27?,29-/m0/s1