[2-acetamido-3-acetyloxy-3-(6-oct-1-ynylpyridin-2-yl)propyl] ethanoate

Systemtic Name: [2-acetamido-3-acetyloxy-3-(6-oct-1-ynylpyridin-2-yl)propyl] ethanoate Openeye Name: [2-acetamido-3-acetoxy-3-(6-oct-1-ynyl-2-pyridyl)propyl] acetate CAS Name: acetic acid [2-acetamido-3-acetyloxy-3-(6-oct-1-ynyl-2-pyridinyl)propyl] ester IUPAC Name: [2-acetamido-3-acetyloxy-3-(6-oct-1-ynylpyridin-2-yl)propyl] acetate Traditional Name: acetic acid [2-acetamido-3-acetoxy-3-(6-oct-1-ynyl-2-pyridyl)propyl] ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=NC(=CC=C1)C(C(COC(=O)C)NC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCC#CC1=NC(=CC=C1)C(C(COC(=O)C)NC(=O)C)OC(=O)C

InChI

InChI=1S/C22H30N2O5/c1-5-6-7-8-9-10-12-19-13-11-14-20(24-19)22(29-18(4)27)21(23-16(2)25)15-28-17(3)26/h11,13-14,21-22H,5-9,15H2,1-4H3,(H,23,25)