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

Systemtic Name: ethanedioic acid; 1-[2-(3-ethoxyphenoxy)ethyl]azepane Openeye Name: 1-[2-(3-ethoxyphenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(3-ethoxyphenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(3-ethoxyphenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(3-ethoxyphenoxy)ethyl]azepane; oxalic acid Formula: C18H27NO6 MolecularWeight: 353.41008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)OCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC(=CC=C1)OCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25NO2.C2H2O4/c1-2-18-15-8-7-9-16(14-15)19-13-12-17-10-5-3-4-6-11-17;3-1(4)2(5)6/h7-9,14H,2-6,10-13H2,1H3;(H,3,4)(H,5,6)