4-(azepan-1-yl)but-2-ynyl ethanoate; ethanedioic acid

Systemtic Name: 4-(azepan-1-yl)but-2-ynyl ethanoate; ethanedioic acid Openeye Name: 4-(azepan-1-yl)but-2-ynyl acetate; oxalic acid CAS Name: acetic acid 4-(1-azepanyl)but-2-ynyl ester; oxalic acid IUPAC Name: 4-(azepan-1-yl)but-2-ynyl acetate; oxalic acid Traditional Name: acetic acid 4-(azepan-1-yl)but-2-ynyl ester; oxalic acid Formula: C14H21NO6 MolecularWeight: 299.31964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCN1CCCCCC1.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)OCC#CCN1CCCCCC1.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H19NO2.C2H2O4/c1-12(14)15-11-7-6-10-13-8-4-2-3-5-9-13;3-1(4)2(5)6/h2-5,8-11H2,1H3;(H,3,4)(H,5,6)