[2-acetamido-3-acetyloxy-3-[6-(7-phenylhept-1-ynyl)pyridin-2-yl]propyl] ethanoate

Systemtic Name: [2-acetamido-3-acetyloxy-3-[6-(7-phenylhept-1-ynyl)pyridin-2-yl]propyl] ethanoate Openeye Name: [2-acetamido-3-acetoxy-3-[6-(7-phenylhept-1-ynyl)-2-pyridyl]propyl] acetate CAS Name: acetic acid [2-acetamido-3-acetyloxy-3-[6-(7-phenylhept-1-ynyl)-2-pyridinyl]propyl] ester IUPAC Name: [2-acetamido-3-acetyloxy-3-[6-(7-phenylhept-1-ynyl)pyridin-2-yl]propyl] acetate Traditional Name: acetic acid [2-acetamido-3-acetoxy-3-[6-(7-phenylhept-1-ynyl)-2-pyridyl]propyl] ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC(=O)C)C(C1=CC=CC(=N1)C#CCCCCCC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(=O)NC(COC(=O)C)C(C1=CC=CC(=N1)C#CCCCCCC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C27H32N2O5/c1-20(30)28-26(19-33-21(2)31)27(34-22(3)32)25-18-12-17-24(29-25)16-11-6-4-5-8-13-23-14-9-7-10-15-23/h7,9-10,12,14-15,17-18,26-27H,4-6,8,13,19H2,1-3H3,(H,28,30)