6-(2-bromanyl-4-chloranyl-phenoxy)-N-(furan-2-ylmethyl)hexan-1-amine; ethanedioic acid

Systemtic Name: 6-(2-bromanyl-4-chloranyl-phenoxy)-N-(furan-2-ylmethyl)hexan-1-amine; ethanedioic acid Openeye Name: 6-(2-bromo-4-chloro-phenoxy)-N-(2-furylmethyl)hexan-1-amine; oxalic acid CAS Name: 6-(2-bromo-4-chlorophenoxy)-N-(2-furanylmethyl)-1-hexanamine; oxalic acid IUPAC Name: 6-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)hexan-1-amine; oxalic acid Traditional Name: 6-(2-bromo-4-chloro-phenoxy)hexyl-(2-furfuryl)amine; oxalic acid Formula: C19H23BrClNO6 MolecularWeight: 476.74602

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNCCCCCCOC2=C(C=C(C=C2)Cl)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1=COC(=C1)CNCCCCCCOC2=C(C=C(C=C2)Cl)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21BrClNO2.C2H2O4/c18-16-12-14(19)7-8-17(16)22-10-4-2-1-3-9-20-13-15-6-5-11-21-15;3-1(4)2(5)6/h5-8,11-12,20H,1-4,9-10,13H2;(H,3,4)(H,5,6)