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

Systemtic Name: ethanedioic acid; 2-[(4-methylpyridin-2-yl)methyl]azepane Openeye Name: 2-[(4-methyl-2-pyridyl)methyl]azepane; oxalic acid CAS Name: 2-[(4-methyl-2-pyridinyl)methyl]azepane; oxalic acid IUPAC Name: 2-[(4-methylpyridin-2-yl)methyl]azepane; oxalic acid Traditional Name: 2-[(4-methyl-2-pyridyl)methyl]azepane; oxalic acid Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)CC2CCCCCN2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=NC=C1)CC2CCCCCN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2.C2H2O4/c1-11-6-8-15-13(9-11)10-12-5-3-2-4-7-14-12;3-1(4)2(5)6/h6,8-9,12,14H,2-5,7,10H2,1H3;(H,3,4)(H,5,6)