ethanedioic acid; 2-(3-methylphenyl)azepane

Systemtic Name: ethanedioic acid; 2-(3-methylphenyl)azepane Openeye Name: 2-(m-tolyl)azepane; oxalic acid CAS Name: 2-(3-methylphenyl)azepane; oxalic acid IUPAC Name: 2-(3-methylphenyl)azepane; oxalic acid Traditional Name: 2-(m-tolyl)azepane; oxalic acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CCCCCN2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2CCCCCN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19N.C2H2O4/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-14-13;3-1(4)2(5)6/h5-7,10,13-14H,2-4,8-9H2,1H3;(H,3,4)(H,5,6)