N-[3-(4-bromanyl-2-chloranyl-phenoxy)propyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-[3-(4-bromanyl-2-chloranyl-phenoxy)propyl]butan-1-amine; ethanedioic acid Openeye Name: N-[3-(4-bromo-2-chloro-phenoxy)propyl]butan-1-amine; oxalic acid CAS Name: N-[3-(4-bromo-2-chlorophenoxy)propyl]-1-butanamine; oxalic acid IUPAC Name: N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-1-amine; oxalic acid Traditional Name: 3-(4-bromo-2-chloro-phenoxy)propyl-butyl-amine; oxalic acid Formula: C15H21BrClNO5 MolecularWeight: 410.68794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCOC1=C(C=C(C=C1)Br)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCOC1=C(C=C(C=C1)Br)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19BrClNO.C2H2O4/c1-2-3-7-16-8-4-9-17-13-6-5-11(14)10-12(13)15;3-1(4)2(5)6/h5-6,10,16H,2-4,7-9H2,1H3;(H,3,4)(H,5,6)