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

Systemtic Name: ethyl 2-acetamido-3-(6-oct-1-ynylpyridin-2-yl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-3-hydroxy-3-(6-oct-1-ynyl-2-pyridyl)propanoate CAS Name: 2-acetamido-3-hydroxy-3-(6-oct-1-ynyl-2-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-hydroxy-3-(6-oct-1-ynylpyridin-2-yl)propanoate Traditional Name: 2-acetamido-3-hydroxy-3-(6-oct-1-ynyl-2-pyridyl)propionic acid ethyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-4-6-7-8-9-10-12-16-13-11-14-17(22-16)19(24)18(21-15(3)23)20(25)26-5-2/h11,13-14,18-19,24H,4-9H2,1-3H3,(H,21,23)