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

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenoxy)-N-(2-methoxyethyl)butan-1-amine; ethanedioic acid Openeye Name: 4-(4-bromo-2-chloro-phenoxy)-N-(2-methoxyethyl)butan-1-amine; oxalic acid CAS Name: 4-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)-1-butanamine; oxalic acid IUPAC Name: 4-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)butan-1-amine; oxalic acid Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyl-(2-methoxyethyl)amine; oxalic acid Formula: C15H21BrClNO6 MolecularWeight: 426.68734

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Descriptors Computed from Structure

Canonical SMILES:

COCCNCCCCOC1=C(C=C(C=C1)Br)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COCCNCCCCOC1=C(C=C(C=C1)Br)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19BrClNO2.C2H2O4/c1-17-9-7-16-6-2-3-8-18-13-5-4-11(14)10-12(13)15;3-1(4)2(5)6/h4-5,10,16H,2-3,6-9H2,1H3;(H,3,4)(H,5,6)