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

Systemtic Name: 4-(3-bromanylphenoxy)-N-(phenylmethyl)butan-1-amine; ethanedioic acid Openeye Name: N-benzyl-4-(3-bromophenoxy)butan-1-amine; oxalic acid CAS Name: 4-(3-bromophenoxy)-N-(phenylmethyl)-1-butanamine; oxalic acid IUPAC Name: N-benzyl-4-(3-bromophenoxy)butan-1-amine; oxalic acid Traditional Name: benzyl-[4-(3-bromophenoxy)butyl]amine; oxalic acid Formula: C19H22BrNO5 MolecularWeight: 424.28568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCOC2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCOC2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20BrNO.C2H2O4/c18-16-9-6-10-17(13-16)20-12-5-4-11-19-14-15-7-2-1-3-8-15;3-1(4)2(5)6/h1-3,6-10,13,19H,4-5,11-12,14H2;(H,3,4)(H,5,6)