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

Systemtic Name: [4-(1-oxidanylprop-2-ynyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate Openeye Name: [4-(1-hydroxyprop-2-ynyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate CAS Name: 4-(5-methyl-2-pyrimidinyl)benzoic acid [4-(1-hydroxyprop-2-ynyl)phenyl] ester IUPAC Name: [4-(1-hydroxyprop-2-ynyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-methylpyrimidin-2-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=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C#C)O

Isomeric SMILES

CC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C#C)O

InChI

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