1-[4-(3-bromanylphenoxy)butyl]azepane; ethanedioic acid

Systemtic Name: 1-[4-(3-bromanylphenoxy)butyl]azepane; ethanedioic acid Openeye Name: 1-[4-(3-bromophenoxy)butyl]azepane; oxalic acid CAS Name: 1-[4-(3-bromophenoxy)butyl]azepane; oxalic acid IUPAC Name: 1-[4-(3-bromophenoxy)butyl]azepane; oxalic acid Traditional Name: 1-[4-(3-bromophenoxy)butyl]azepane; oxalic acid Formula: C18H26BrNO5 MolecularWeight: 416.30674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCCOC2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCCOC2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24BrNO.C2H2O4/c17-15-8-7-9-16(14-15)19-13-6-5-12-18-10-3-1-2-4-11-18;3-1(4)2(5)6/h7-9,14H,1-6,10-13H2;(H,3,4)(H,5,6)