ethanedioic acid; 2-pentan-3-ylazepane

Systemtic Name: ethanedioic acid; 2-pentan-3-ylazepane Openeye Name: 2-(1-ethylpropyl)azepane; oxalic acid CAS Name: oxalic acid; 2-pentan-3-ylazepane IUPAC Name: oxalic acid; 2-pentan-3-ylazepane Traditional Name: 2-(1-ethylpropyl)azepane; oxalic acid Formula: C13H25NO4 MolecularWeight: 259.3419

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1CCCCCN1.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)C1CCCCCN1.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H23N.C2H2O4/c1-3-10(4-2)11-8-6-5-7-9-12-11;3-1(4)2(5)6/h10-12H,3-9H2,1-2H3;(H,3,4)(H,5,6)