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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC#CCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1OCC#CCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23NO2.C2H2O4/c1-19-16-10-4-5-11-17(16)20-15-9-8-14-18-12-6-2-3-7-13-18;3-1(4)2(5)6/h4-5,10-11H,2-3,6-7,12-15H2,1H3;(H,3,4)(H,5,6)