N-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propyl]butan-2-amine; ethanedioic acid

Systemtic Name: N-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propyl]butan-2-amine; ethanedioic acid Openeye Name: N-[3-(2-bromo-4,6-dimethyl-phenoxy)propyl]butan-2-amine; oxalic acid CAS Name: N-[3-(2-bromo-4,6-dimethylphenoxy)propyl]-2-butanamine; oxalic acid IUPAC Name: N-[3-(2-bromo-4,6-dimethylphenoxy)propyl]butan-2-amine; oxalic acid Traditional Name: 3-(2-bromo-4,6-dimethyl-phenoxy)propyl-sec-butyl-amine; oxalic acid Formula: C17H26BrNO5 MolecularWeight: 404.29604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCCOC1=C(C=C(C=C1Br)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCCOC1=C(C=C(C=C1Br)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24BrNO.C2H2O4/c1-5-13(4)17-7-6-8-18-15-12(3)9-11(2)10-14(15)16;3-1(4)2(5)6/h9-10,13,17H,5-8H2,1-4H3;(H,3,4)(H,5,6)