1-[2-(3-bromanylphenoxy)ethyl]azepane; ethanedioic acid

Systemtic Name: 1-[2-(3-bromanylphenoxy)ethyl]azepane; ethanedioic acid Openeye Name: 1-[2-(3-bromophenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(3-bromophenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(3-bromophenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(3-bromophenoxy)ethyl]azepane; oxalic acid Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20BrNO.C2H2O4/c15-13-6-5-7-14(12-13)17-11-10-16-8-3-1-2-4-9-16;3-1(4)2(5)6/h5-7,12H,1-4,8-11H2;(H,3,4)(H,5,6)