methyl 3-[7-oxidanylidene-7-(5-pyridin-2-yl-1,3-oxazol-2-yl)hept-1-ynyl]benzoate

Systemtic Name: methyl 3-[7-oxidanylidene-7-(5-pyridin-2-yl-1,3-oxazol-2-yl)hept-1-ynyl]benzoate Openeye Name: methyl 3-[7-oxo-7-[5-(2-pyridyl)oxazol-2-yl]hept-1-ynyl]benzoate CAS Name: 3-[7-oxo-7-[5-(2-pyridinyl)-2-oxazolyl]hept-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[7-oxo-7-(5-pyridin-2-yl-1,3-oxazol-2-yl)hept-1-ynyl]benzoate Traditional Name: 3-[7-keto-7-[5-(2-pyridyl)oxazol-2-yl]hept-1-ynyl]benzoic acid methyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3

InChI

InChI=1S/C23H20N2O4/c1-28-23(27)18-11-8-10-17(15-18)9-4-2-3-5-13-20(26)22-25-16-21(29-22)19-12-6-7-14-24-19/h6-8,10-12,14-16H,2-3,5,13H2,1H3