ethanedioic acid; 1-[3-(4-methoxyphenoxy)propyl]azepane

Systemtic Name: ethanedioic acid; 1-[3-(4-methoxyphenoxy)propyl]azepane Openeye Name: 1-[3-(4-methoxyphenoxy)propyl]azepane; oxalic acid CAS Name: 1-[3-(4-methoxyphenoxy)propyl]azepane; oxalic acid IUPAC Name: 1-[3-(4-methoxyphenoxy)propyl]azepane; oxalic acid Traditional Name: 1-[3-(4-methoxyphenoxy)propyl]azepane; oxalic acid Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

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