1-(4-bromanylphenoxy)-3-(1-methoxypropan-2-ylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(4-bromanylphenoxy)-3-(1-methoxypropan-2-ylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-(4-bromophenoxy)-3-[(2-methoxy-1-methyl-ethyl)amino]propan-2-ol; oxalic acid CAS Name: 1-(4-bromophenoxy)-3-(1-methoxypropan-2-ylamino)-2-propanol; oxalic acid IUPAC Name: 1-(4-bromophenoxy)-3-(1-methoxypropan-2-ylamino)propan-2-ol; oxalic acid Traditional Name: 1-(4-bromophenoxy)-3-[(2-methoxy-1-methyl-ethyl)amino]propan-2-ol; oxalic acid Formula: C15H22BrNO7 MolecularWeight: 408.24168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NCC(COC1=CC=C(C=C1)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(COC)NCC(COC1=CC=C(C=C1)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20BrNO3.C2H2O4/c1-10(8-17-2)15-7-12(16)9-18-13-5-3-11(14)4-6-13;3-1(4)2(5)6/h3-6,10,12,15-16H,7-9H2,1-2H3;(H,3,4)(H,5,6)