[4-(2-oxidanylbut-3-ynyl)phenyl] 4-(5-methoxypyrimidin-2-yl)benzoate

Systemtic Name: [4-(2-oxidanylbut-3-ynyl)phenyl] 4-(5-methoxypyrimidin-2-yl)benzoate Openeye Name: [4-(2-hydroxybut-3-ynyl)phenyl] 4-(5-methoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-methoxy-2-pyrimidinyl)benzoic acid [4-(2-hydroxybut-3-ynyl)phenyl] ester IUPAC Name: [4-(2-hydroxybut-3-ynyl)phenyl] 4-(5-methoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-methoxypyrimidin-2-yl)benzoic acid [4-(2-hydroxybut-3-ynyl)phenyl] ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC(C#C)O

Isomeric SMILES

COC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC(C#C)O

InChI

InChI=1S/C22H18N2O4/c1-3-18(25)12-15-4-10-19(11-5-15)28-22(26)17-8-6-16(7-9-17)21-23-13-20(27-2)14-24-21/h1,4-11,13-14,18,25H,12H2,2H3