ethanedioic acid; 1-[2-(4-phenylmethoxyphenoxy)ethyl]azepane

Systemtic Name: ethanedioic acid; 1-[2-(4-phenylmethoxyphenoxy)ethyl]azepane Openeye Name: 1-[2-(4-benzyloxyphenoxy)ethyl]azepane; oxalic acid CAS Name: oxalic acid; 1-[2-(4-phenylmethoxyphenoxy)ethyl]azepane IUPAC Name: oxalic acid; 1-[2-(4-phenylmethoxyphenoxy)ethyl]azepane Traditional Name: 1-[2-(4-benzoxyphenoxy)ethyl]azepane; oxalic acid Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27NO2.C2H2O4/c1-2-7-15-22(14-6-1)16-17-23-20-10-12-21(13-11-20)24-18-19-8-4-3-5-9-19;3-1(4)2(5)6/h3-5,8-13H,1-2,6-7,14-18H2;(H,3,4)(H,5,6)