4-(3-bromanylphenoxy)-N-(3-methoxypropyl)butan-1-amine; ethanedioic acid

Systemtic Name: 4-(3-bromanylphenoxy)-N-(3-methoxypropyl)butan-1-amine; ethanedioic acid Openeye Name: 4-(3-bromophenoxy)-N-(3-methoxypropyl)butan-1-amine; oxalic acid CAS Name: 4-(3-bromophenoxy)-N-(3-methoxypropyl)-1-butanamine; oxalic acid IUPAC Name: 4-(3-bromophenoxy)-N-(3-methoxypropyl)butan-1-amine; oxalic acid Traditional Name: 4-(3-bromophenoxy)butyl-(3-methoxypropyl)amine; oxalic acid Formula: C16H24BrNO6 MolecularWeight: 406.26886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22BrNO2.C2H2O4/c1-17-10-5-9-16-8-2-3-11-18-14-7-4-6-13(15)12-14;3-1(4)2(5)6/h4,6-7,12,16H,2-3,5,8-11H2,1H3;(H,3,4)(H,5,6)