ethanedioic acid; 2-(4-ethoxyphenyl)azepane

Systemtic Name: ethanedioic acid; 2-(4-ethoxyphenyl)azepane Openeye Name: 2-(4-ethoxyphenyl)azepane; oxalic acid CAS Name: 2-(4-ethoxyphenyl)azepane; oxalic acid IUPAC Name: 2-(4-ethoxyphenyl)azepane; oxalic acid Traditional Name: oxalic acid; 2-p-phenetylazepane Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCCCN2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCCCN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NO.C2H2O4/c1-2-16-13-9-7-12(8-10-13)14-6-4-3-5-11-15-14;3-1(4)2(5)6/h7-10,14-15H,2-6,11H2,1H3;(H,3,4)(H,5,6)