N-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethyl]butan-2-amine; ethanedioic acid

Systemtic Name: N-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethyl]butan-2-amine; ethanedioic acid Openeye Name: N-[2-(2-bromo-4,6-dimethyl-phenoxy)ethyl]butan-2-amine; oxalic acid CAS Name: N-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2-butanamine; oxalic acid IUPAC Name: N-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]butan-2-amine; oxalic acid Traditional Name: 2-(2-bromo-4,6-dimethyl-phenoxy)ethyl-sec-butyl-amine; oxalic acid Formula: C16H24BrNO5 MolecularWeight: 390.26946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCOC1=C(C=C(C=C1Br)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCOC1=C(C=C(C=C1Br)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22BrNO.C2H2O4/c1-5-12(4)16-6-7-17-14-11(3)8-10(2)9-13(14)15;3-1(4)2(5)6/h8-9,12,16H,5-7H2,1-4H3;(H,3,4)(H,5,6)