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

Systemtic Name: ethyl 2-acetamido-3-(6-hexadec-1-ynylpyridin-2-yl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-3-(6-hexadec-1-ynyl-2-pyridyl)-3-hydroxy-propanoate CAS Name: 2-acetamido-3-(6-hexadec-1-ynyl-2-pyridinyl)-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(6-hexadec-1-ynylpyridin-2-yl)-3-hydroxypropanoate Traditional Name: 2-acetamido-3-(6-hexadec-1-ynyl-2-pyridyl)-3-hydroxy-propionic acid ethyl ester Formula: C28H44N2O4 MolecularWeight: 472.65996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(30-24)27(32)26(29-23(3)31)28(33)34-5-2/h19,21-22,26-27,32H,4-17H2,1-3H3,(H,29,31)