[(6-but-2-ynoxypyrimidin-4-yl)-phenyl-methyl] propanoate

Systemtic Name: [(6-but-2-ynoxypyrimidin-4-yl)-phenyl-methyl] propanoate Openeye Name: [(6-but-2-ynoxypyrimidin-4-yl)-phenyl-methyl] propanoate CAS Name: propanoic acid [(6-but-2-ynoxy-4-pyrimidinyl)-phenylmethyl] ester IUPAC Name: [(6-but-2-ynoxypyrimidin-4-yl)-phenylmethyl] propanoate Traditional Name: propionic acid [(6-but-2-ynoxypyrimidin-4-yl)-phenyl-methyl] ester Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C1=CC=CC=C1)C2=CC(=NC=N2)OCC#CC

Isomeric SMILES

CCC(=O)OC(C1=CC=CC=C1)C2=CC(=NC=N2)OCC#CC

InChI

InChI=1S/C18H18N2O3/c1-3-5-11-22-16-12-15(19-13-20-16)18(23-17(21)4-2)14-9-7-6-8-10-14/h6-10,12-13,18H,4,11H2,1-2H3