2-[4-(3-bromanylphenoxy)butylamino]ethanol; ethanedioic acid

Systemtic Name: 2-[4-(3-bromanylphenoxy)butylamino]ethanol; ethanedioic acid Openeye Name: 2-[4-(3-bromophenoxy)butylamino]ethanol; oxalic acid CAS Name: 2-[4-(3-bromophenoxy)butylamino]ethanol; oxalic acid IUPAC Name: 2-[4-(3-bromophenoxy)butylamino]ethanol; oxalic acid Traditional Name: 2-[4-(3-bromophenoxy)butylamino]ethanol; oxalic acid Formula: C14H20BrNO6 MolecularWeight: 378.2157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCCCNCCO.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCCCNCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18BrNO2.C2H2O4/c13-11-4-3-5-12(10-11)16-9-2-1-6-14-7-8-15;3-1(4)2(5)6/h3-5,10,14-15H,1-2,6-9H2;(H,3,4)(H,5,6)