1-[(6-bromanyl-1,3-benzodioxol-5-yl)oxy]-3-(4-phenylbutan-2-ylamino)butan-2-ol

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)oxy]-3-(4-phenylbutan-2-ylamino)butan-2-ol Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-[(1-methyl-3-phenyl-propyl)amino]butan-2-ol CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-(4-phenylbutan-2-ylamino)-2-butanol IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-(4-phenylbutan-2-ylamino)butan-2-ol Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)oxy]-3-[(1-methyl-3-phenyl-propyl)amino]butan-2-ol Formula: C21H26BrNO4 MolecularWeight: 436.33944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(C)C(COC2=C(C=C3C(=C2)OCO3)Br)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(C)C(COC2=C(C=C3C(=C2)OCO3)Br)O

InChI

InChI=1S/C21H26BrNO4/c1-14(8-9-16-6-4-3-5-7-16)23-15(2)18(24)12-25-19-11-21-20(10-17(19)22)26-13-27-21/h3-7,10-11,14-15,18,23-24H,8-9,12-13H2,1-2H3