[4-(1-oxidanylprop-2-ynyl)phenyl] 4-(2-methylpyrimidin-5-yl)benzoate

Systemtic Name: [4-(1-oxidanylprop-2-ynyl)phenyl] 4-(2-methylpyrimidin-5-yl)benzoate Openeye Name: [4-(1-hydroxyprop-2-ynyl)phenyl] 4-(2-methylpyrimidin-5-yl)benzoate CAS Name: 4-(2-methyl-5-pyrimidinyl)benzoic acid [4-(1-hydroxyprop-2-ynyl)phenyl] ester IUPAC Name: [4-(1-hydroxyprop-2-ynyl)phenyl] 4-(2-methylpyrimidin-5-yl)benzoate Traditional Name: 4-(2-methylpyrimidin-5-yl)benzoic acid [4-(1-hydroxyprop-2-ynyl)phenyl] ester Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C#C)O

Isomeric SMILES

CC1=NC=C(C=N1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C#C)O

InChI

InChI=1S/C21H16N2O3/c1-3-20(24)16-8-10-19(11-9-16)26-21(25)17-6-4-15(5-7-17)18-12-22-14(2)23-13-18/h1,4-13,20,24H,2H3