ethanedioic acid; 2-[(4-methoxyphenyl)methyl]azepane

Systemtic Name: ethanedioic acid; 2-[(4-methoxyphenyl)methyl]azepane Openeye Name: 2-[(4-methoxyphenyl)methyl]azepane; oxalic acid CAS Name: 2-[(4-methoxyphenyl)methyl]azepane; oxalic acid IUPAC Name: 2-[(4-methoxyphenyl)methyl]azepane; oxalic acid Traditional Name: oxalic acid; 2-p-anisylazepane Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2CCCCCN2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2CCCCCN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NO.C2H2O4/c1-16-14-8-6-12(7-9-14)11-13-5-3-2-4-10-15-13;3-1(4)2(5)6/h6-9,13,15H,2-5,10-11H2,1H3;(H,3,4)(H,5,6)