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

Systemtic Name: ethanedioic acid; 1-[2-(4-methylphenoxy)ethyl]azepane Openeye Name: 1-[2-(4-methylphenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(4-methylphenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(4-methylphenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(4-methylphenoxy)ethyl]azepane; oxalic acid Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO.C2H2O4/c1-14-6-8-15(9-7-14)17-13-12-16-10-4-2-3-5-11-16;3-1(4)2(5)6/h6-9H,2-5,10-13H2,1H3;(H,3,4)(H,5,6)