N-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethoxy]ethyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethoxy]ethyl]butan-1-amine; ethanedioic acid Openeye Name: N-[2-[2-(4-bromo-2-methyl-phenoxy)ethoxy]ethyl]butan-1-amine; oxalic acid CAS Name: N-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]-1-butanamine; oxalic acid IUPAC Name: N-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]butan-1-amine; oxalic acid Traditional Name: 2-[2-(4-bromo-2-methyl-phenoxy)ethoxy]ethyl-butyl-amine; oxalic acid Formula: C17H26BrNO6 MolecularWeight: 420.29544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCOCCOC1=C(C=C(C=C1)Br)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCOCCOC1=C(C=C(C=C1)Br)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24BrNO2.C2H2O4/c1-3-4-7-17-8-9-18-10-11-19-15-6-5-14(16)12-13(15)2;3-1(4)2(5)6/h5-6,12,17H,3-4,7-11H2,1-2H3;(H,3,4)(H,5,6)