ethyl 2-acetamido-3-(6-dec-1-ynylpyridin-2-yl)-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-(6-dec-1-ynylpyridin-2-yl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-3-(6-dec-1-ynyl-2-pyridyl)-3-hydroxy-propanoate CAS Name: 2-acetamido-3-(6-dec-1-ynyl-2-pyridinyl)-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(6-dec-1-ynylpyridin-2-yl)-3-hydroxypropanoate Traditional Name: 2-acetamido-3-(6-dec-1-ynyl-2-pyridyl)-3-hydroxy-propionic acid ethyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=NC(=CC=C1)C(C(C(=O)OCC)NC(=O)C)O

Isomeric SMILES

CCCCCCCCC#CC1=NC(=CC=C1)C(C(C(=O)OCC)NC(=O)C)O

InChI

InChI=1S/C22H32N2O4/c1-4-6-7-8-9-10-11-12-14-18-15-13-16-19(24-18)21(26)20(23-17(3)25)22(27)28-5-2/h13,15-16,20-21,26H,4-11H2,1-3H3,(H,23,25)