ethyl (3S)-3-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]dodecanoate

Systemtic Name: ethyl (3S)-3-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]dodecanoate Openeye Name: ethyl (3S)-3-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]dodecanoate CAS Name: (3S)-3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]dodecanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]dodecanoate Traditional Name: (3S)-3-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]amino]lauric acid ethyl ester Formula: C20H37NO4 MolecularWeight: 355.51208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37NO4/c1-5-8-9-10-11-12-13-14-18(16-20(23)25-7-3)21-17(4)15-19(22)24-6-2/h15,18,21H,5-14,16H2,1-4H3/b17-15+/t18-/m0/s1