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

Systemtic Name: [2-acetamido-3-acetyloxy-3-(6-hexadec-1-ynylpyridin-2-yl)propyl] ethanoate Openeye Name: [2-acetamido-3-acetoxy-3-(6-hexadec-1-ynyl-2-pyridyl)propyl] acetate CAS Name: acetic acid [2-acetamido-3-acetyloxy-3-(6-hexadec-1-ynyl-2-pyridinyl)propyl] ester IUPAC Name: [2-acetamido-3-acetyloxy-3-(6-hexadec-1-ynylpyridin-2-yl)propyl] acetate Traditional Name: acetic acid [2-acetamido-3-acetoxy-3-(6-hexadec-1-ynyl-2-pyridyl)propyl] ester Formula: C30H46N2O5 MolecularWeight: 514.69664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27-21-19-22-28(32-27)30(37-26(4)35)29(31-24(2)33)23-36-25(3)34/h19,21-22,29-30H,5-17,23H2,1-4H3,(H,31,33)