1-(4-bromanylphenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(4-bromanylphenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-(4-bromophenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; oxalic acid CAS Name: 1-(4-bromophenoxy)-3-[3-(1-imidazolyl)propylamino]-2-propanol; oxalic acid IUPAC Name: 1-(4-bromophenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; oxalic acid Traditional Name: 1-(4-bromophenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; oxalic acid Formula: C17H22BrN3O6 MolecularWeight: 444.27708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(CNCCCN2C=CN=C2)O)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1OCC(CNCCCN2C=CN=C2)O)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20BrN3O2.C2H2O4/c16-13-2-4-15(5-3-13)21-11-14(20)10-17-6-1-8-19-9-7-18-12-19;3-1(4)2(5)6/h2-5,7,9,12,14,17,20H,1,6,8,10-11H2;(H,3,4)(H,5,6)