ethyl (3S)-3-[[(Z,5S)-1-ethoxy-5-oxidanyl-1-oxidanylidene-hex-2-en-3-yl]amino]octanoate

Systemtic Name: ethyl (3S)-3-[[(Z,5S)-1-ethoxy-5-oxidanyl-1-oxidanylidene-hex-2-en-3-yl]amino]octanoate Openeye Name: ethyl (3S)-3-[[(1Z,3S)-1-(2-ethoxy-2-oxo-ethylidene)-3-hydroxy-butyl]amino]octanoate CAS Name: (3S)-3-[[(Z,5S)-1-ethoxy-5-hydroxy-1-oxohex-2-en-3-yl]amino]octanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[(Z,5S)-1-ethoxy-5-hydroxy-1-oxohex-2-en-3-yl]amino]octanoate Traditional Name: (3S)-3-[[(Z)-3-ethoxy-1-[(2S)-2-hydroxypropyl]-3-keto-prop-1-enyl]amino]caprylic acid ethyl ester Formula: C18H33NO5 MolecularWeight: 343.45832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33NO5/c1-5-8-9-10-15(12-17(21)23-6-2)19-16(11-14(4)20)13-18(22)24-7-3/h13-15,19-20H,5-12H2,1-4H3/b16-13-/t14-,15-/m0/s1