ethanedioic acid; 2-(4-methoxyphenyl)azepane

Systemtic Name: ethanedioic acid; 2-(4-methoxyphenyl)azepane Openeye Name: 2-(4-methoxyphenyl)azepane; oxalic acid CAS Name: 2-(4-methoxyphenyl)azepane; oxalic acid IUPAC Name: 2-(4-methoxyphenyl)azepane; oxalic acid Traditional Name: 2-(4-methoxyphenyl)azepane; oxalic acid Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19NO.C2H2O4/c1-15-12-8-6-11(7-9-12)13-5-3-2-4-10-14-13;3-1(4)2(5)6/h6-9,13-14H,2-5,10H2,1H3;(H,3,4)(H,5,6)