ethanedioic acid; 1-[4-(4-methoxyphenoxy)but-2-ynyl]azepane

Systemtic Name: ethanedioic acid; 1-[4-(4-methoxyphenoxy)but-2-ynyl]azepane Openeye Name: 1-[4-(4-methoxyphenoxy)but-2-ynyl]azepane; oxalic acid CAS Name: 1-[4-(4-methoxyphenoxy)but-2-ynyl]azepane; oxalic acid IUPAC Name: 1-[4-(4-methoxyphenoxy)but-2-ynyl]azepane; oxalic acid Traditional Name: 1-[4-(4-methoxyphenoxy)but-2-ynyl]azepane; oxalic acid Formula: C19H25NO6 MolecularWeight: 363.4049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC#CCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC#CCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23NO2.C2H2O4/c1-19-16-8-10-17(11-9-16)20-15-7-6-14-18-12-4-2-3-5-13-18;3-1(4)2(5)6/h8-11H,2-5,12-15H2,1H3;(H,3,4)(H,5,6)