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

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenoxy)-N-(3-methoxypropyl)butan-1-amine; ethanedioic acid Openeye Name: 4-(4-bromo-2-chloro-phenoxy)-N-(3-methoxypropyl)butan-1-amine; oxalic acid CAS Name: 4-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)-1-butanamine; oxalic acid IUPAC Name: 4-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)butan-1-amine; oxalic acid Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyl-(3-methoxypropyl)amine; oxalic acid Formula: C16H23BrClNO6 MolecularWeight: 440.71392

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNCCCCOC1=C(C=C(C=C1)Br)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COCCCNCCCCOC1=C(C=C(C=C1)Br)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21BrClNO2.C2H2O4/c1-18-9-4-8-17-7-2-3-10-19-14-6-5-12(15)11-13(14)16;3-1(4)2(5)6/h5-6,11,17H,2-4,7-10H2,1H3;(H,3,4)(H,5,6)