ethyl 2-acetamido-3-oxidanyl-3-[6-(7-phenylhept-1-ynyl)pyridin-2-yl]propanoate

Systemtic Name: ethyl 2-acetamido-3-oxidanyl-3-[6-(7-phenylhept-1-ynyl)pyridin-2-yl]propanoate Openeye Name: ethyl 2-acetamido-3-hydroxy-3-[6-(7-phenylhept-1-ynyl)-2-pyridyl]propanoate CAS Name: 2-acetamido-3-hydroxy-3-[6-(7-phenylhept-1-ynyl)-2-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-hydroxy-3-[6-(7-phenylhept-1-ynyl)pyridin-2-yl]propanoate Traditional Name: 2-acetamido-3-hydroxy-3-[6-(7-phenylhept-1-ynyl)-2-pyridyl]propionic acid ethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-3-31-25(30)23(26-19(2)28)24(29)22-18-12-17-21(27-22)16-11-6-4-5-8-13-20-14-9-7-10-15-20/h7,9-10,12,14-15,17-18,23-24,29H,3-6,8,13H2,1-2H3,(H,26,28)