3-(4-bromanyl-2-chloranyl-phenoxy)-N-(2-methoxyethyl)propan-1-amine; ethanedioic acid

Systemtic Name: 3-(4-bromanyl-2-chloranyl-phenoxy)-N-(2-methoxyethyl)propan-1-amine; ethanedioic acid Openeye Name: 3-(4-bromo-2-chloro-phenoxy)-N-(2-methoxyethyl)propan-1-amine; oxalic acid CAS Name: 3-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)-1-propanamine; oxalic acid IUPAC Name: 3-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine; oxalic acid Traditional Name: 3-(4-bromo-2-chloro-phenoxy)propyl-(2-methoxyethyl)amine; oxalic acid Formula: C14H19BrClNO6 MolecularWeight: 412.66076

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Descriptors Computed from Structure

Canonical SMILES:

COCCNCCCOC1=C(C=C(C=C1)Br)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COCCNCCCOC1=C(C=C(C=C1)Br)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17BrClNO2.C2H2O4/c1-16-8-6-15-5-2-7-17-12-4-3-10(13)9-11(12)14;3-1(4)2(5)6/h3-4,9,15H,2,5-8H2,1H3;(H,3,4)(H,5,6)