(6-hexadec-1-ynylpyridin-2-yl) 3-oxidanylpropanoate

Systemtic Name: (6-hexadec-1-ynylpyridin-2-yl) 3-oxidanylpropanoate Openeye Name: (6-hexadec-1-ynyl-2-pyridyl) 3-hydroxypropanoate CAS Name: 3-hydroxypropanoic acid (6-hexadec-1-ynyl-2-pyridinyl) ester IUPAC Name: (6-hexadec-1-ynylpyridin-2-yl) 3-hydroxypropanoate Traditional Name: 3-hydroxypropionic acid (6-hexadec-1-ynyl-2-pyridyl) ester Formula: C24H37NO3 MolecularWeight: 387.55548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC#CC1=NC(=CC=C1)OC(=O)CCO

Isomeric SMILES

CCCCCCCCCCCCCCC#CC1=NC(=CC=C1)OC(=O)CCO

InChI

InChI=1S/C24H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-19-23(25-22)28-24(27)20-21-26/h16,18-19,26H,2-14,20-21H2,1H3