[4-azanyl-5,5-bis(oxidanyl)pentan-2-yl] octanoate

Systemtic Name: [4-azanyl-5,5-bis(oxidanyl)pentan-2-yl] octanoate Openeye Name: (3-amino-4,4-dihydroxy-1-methyl-butyl) octanoate CAS Name: octanoic acid (4-amino-5,5-dihydroxypentan-2-yl) ester IUPAC Name: (4-amino-5,5-dihydroxypentan-2-yl) octanoate Traditional Name: caprylic acid (3-amino-4,4-dihydroxy-1-methyl-butyl) ester Formula: C13H27NO4 MolecularWeight: 261.35778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)CC(C(O)O)N

Isomeric SMILES

CCCCCCCC(=O)OC(C)CC(C(O)O)N

InChI

InChI=1S/C13H27NO4/c1-3-4-5-6-7-8-12(15)18-10(2)9-11(14)13(16)17/h10-11,13,16-17H,3-9,14H2,1-2H3