N-[1,3-bis(oxidanyl)-1-(6-undec-1-ynylpyridin-2-yl)propan-2-yl]ethanamide

Systemtic Name: N-[1,3-bis(oxidanyl)-1-(6-undec-1-ynylpyridin-2-yl)propan-2-yl]ethanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(6-undec-1-ynyl-2-pyridyl)ethyl]acetamide CAS Name: N-[1,3-dihydroxy-1-(6-undec-1-ynyl-2-pyridinyl)propan-2-yl]acetamide IUPAC Name: N-[1,3-dihydroxy-1-(6-undec-1-ynylpyridin-2-yl)propan-2-yl]acetamide Traditional Name: N-[2-hydroxy-1-methylol-2-(6-undec-1-ynyl-2-pyridyl)ethyl]acetamide Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC#CC1=NC(=CC=C1)C(C(CO)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCC#CC1=NC(=CC=C1)C(C(CO)NC(=O)C)O

InChI

InChI=1S/C21H32N2O3/c1-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19(23-18)21(26)20(16-24)22-17(2)25/h12,14-15,20-21,24,26H,3-10,16H2,1-2H3,(H,22,25)