ethanedioic acid; 1-[2-(2-methoxy-4-methyl-phenoxy)ethyl]azepane

Systemtic Name: ethanedioic acid; 1-[2-(2-methoxy-4-methyl-phenoxy)ethyl]azepane Openeye Name: 1-[2-(2-methoxy-4-methyl-phenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(2-methoxy-4-methylphenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(2-methoxy-4-methylphenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(2-methoxy-4-methyl-phenoxy)ethyl]azepane; oxalic acid Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2CCCCCC2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2CCCCCC2)OC.C(=O)(C(=O)O)O

InChI

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