ethanedioic acid; 2-(pyridin-2-ylmethyl)azepane

Systemtic Name: ethanedioic acid; 2-(pyridin-2-ylmethyl)azepane Openeye Name: oxalic acid; 2-(2-pyridylmethyl)azepane CAS Name: oxalic acid; 2-(2-pyridinylmethyl)azepane IUPAC Name: oxalic acid; 2-(pyridin-2-ylmethyl)azepane Traditional Name: oxalic acid; 2-(2-pyridylmethyl)azepane Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)CC2=CC=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(NCC1)CC2=CC=CC=N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2.C2H2O4/c1-2-6-11(13-8-4-1)10-12-7-3-5-9-14-12;3-1(4)2(5)6/h3,5,7,9,11,13H,1-2,4,6,8,10H2;(H,3,4)(H,5,6)