ethyl (3S)-3-[[(3S,5S)-1-ethoxy-5-oxidanyl-1-oxidanylidene-hexan-3-yl]amino]octanoate

Systemtic Name: ethyl (3S)-3-[[(3S,5S)-1-ethoxy-5-oxidanyl-1-oxidanylidene-hexan-3-yl]amino]octanoate Openeye Name: ethyl (3S)-3-[[(1S,3S)-1-(2-ethoxy-2-oxo-ethyl)-3-hydroxy-butyl]amino]octanoate CAS Name: (3S)-3-[[(3S,5S)-1-ethoxy-5-hydroxy-1-oxohexan-3-yl]amino]octanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[(3S,5S)-1-ethoxy-5-hydroxy-1-oxohexan-3-yl]amino]octanoate Traditional Name: (3S)-3-[[(1S,3S)-1-(2-ethoxy-2-keto-ethyl)-3-hydroxy-butyl]amino]caprylic acid ethyl ester Formula: C18H35NO5 MolecularWeight: 345.4742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)OCC)NC(CC(C)O)CC(=O)OCC

Isomeric SMILES

CCCCC[C@@H](CC(=O)OCC)N[C@@H](C[C@H](C)O)CC(=O)OCC

InChI

InChI=1S/C18H35NO5/c1-5-8-9-10-15(12-17(21)23-6-2)19-16(11-14(4)20)13-18(22)24-7-3/h14-16,19-20H,5-13H2,1-4H3/t14-,15-,16-/m0/s1