[4-(5-but-3-ynylpyrimidin-2-yl)phenyl] 4-methylbenzoate

Systemtic Name: [4-(5-but-3-ynylpyrimidin-2-yl)phenyl] 4-methylbenzoate Openeye Name: [4-(5-but-3-ynylpyrimidin-2-yl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-(5-but-3-ynyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-but-3-ynylpyrimidin-2-yl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-(5-but-3-ynylpyrimidin-2-yl)phenyl] ester Formula: C22H18N2O2 MolecularWeight: 342.39052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC#C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC#C

InChI

InChI=1S/C22H18N2O2/c1-3-4-5-17-14-23-21(24-15-17)18-10-12-20(13-11-18)26-22(25)19-8-6-16(2)7-9-19/h1,6-15H,4-5H2,2H3