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

Systemtic Name: [4-(2-oxidanylbut-3-ynyl)phenyl] 4-(2-methylpyrimidin-5-yl)benzoate Openeye Name: [4-(2-hydroxybut-3-ynyl)phenyl] 4-(2-methylpyrimidin-5-yl)benzoate CAS Name: 4-(2-methyl-5-pyrimidinyl)benzoic acid [4-(2-hydroxybut-3-ynyl)phenyl] ester IUPAC Name: [4-(2-hydroxybut-3-ynyl)phenyl] 4-(2-methylpyrimidin-5-yl)benzoate Traditional Name: 4-(2-methylpyrimidin-5-yl)benzoic acid [4-(2-hydroxybut-3-ynyl)phenyl] ester Formula: C22H18N2O3 MolecularWeight: 358.38992

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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)CC(C#C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3/c1-3-20(25)12-16-4-10-21(11-5-16)27-22(26)18-8-6-17(7-9-18)19-13-23-15(2)24-14-19/h1,4-11,13-14,20,25H,12H2,2H3