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

Systemtic Name: [4-(1-oxidanylprop-2-ynyl)phenyl] 4-(2-methoxypyrimidin-5-yl)benzoate Openeye Name: [4-(1-hydroxyprop-2-ynyl)phenyl] 4-(2-methoxypyrimidin-5-yl)benzoate CAS Name: 4-(2-methoxy-5-pyrimidinyl)benzoic acid [4-(1-hydroxyprop-2-ynyl)phenyl] ester IUPAC Name: [4-(1-hydroxyprop-2-ynyl)phenyl] 4-(2-methoxypyrimidin-5-yl)benzoate Traditional Name: 4-(2-methoxypyrimidin-5-yl)benzoic acid [4-(1-hydroxyprop-2-ynyl)phenyl] ester Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C#C)O

Isomeric SMILES

COC1=NC=C(C=N1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C#C)O

InChI

InChI=1S/C21H16N2O4/c1-3-19(24)15-8-10-18(11-9-15)27-20(25)16-6-4-14(5-7-16)17-12-22-21(26-2)23-13-17/h1,4-13,19,24H,2H3