[1,4-diazepan-2-yl(oxidanyl)methyl] ethanoate

Systemtic Name: [1,4-diazepan-2-yl(oxidanyl)methyl] ethanoate Openeye Name: [1,4-diazepan-2-yl(hydroxy)methyl] acetate CAS Name: acetic acid [1,4-diazepan-2-yl(hydroxy)methyl] ester IUPAC Name: [1,4-diazepan-2-yl(hydroxy)methyl] acetate Traditional Name: acetic acid [1,4-diazepan-2-yl(hydroxy)methyl] ester Formula: C8H16N2O3 MolecularWeight: 188.22424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1CNCCCN1)O

Isomeric SMILES

CC(=O)OC(C1CNCCCN1)O

InChI

InChI=1S/C8H16N2O3/c1-6(11)13-8(12)7-5-9-3-2-4-10-7/h7-10,12H,2-5H2,1H3