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

Systemtic Name: N-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]butan-2-amine; ethanedioic acid Openeye Name: N-[2-(4-bromo-2-methyl-phenoxy)ethyl]butan-2-amine; oxalic acid CAS Name: N-[2-(4-bromo-2-methylphenoxy)ethyl]-2-butanamine; oxalic acid IUPAC Name: N-[2-(4-bromo-2-methylphenoxy)ethyl]butan-2-amine; oxalic acid Traditional Name: 2-(4-bromo-2-methyl-phenoxy)ethyl-sec-butyl-amine; oxalic acid Formula: C15H22BrNO5 MolecularWeight: 376.24288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCOC1=C(C=C(C=C1)Br)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCOC1=C(C=C(C=C1)Br)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20BrNO.C2H2O4/c1-4-11(3)15-7-8-16-13-6-5-12(14)9-10(13)2;3-1(4)2(5)6/h5-6,9,11,15H,4,7-8H2,1-3H3;(H,3,4)(H,5,6)