5-[4-(5-decoxypyrimidin-2-yl)phenyl]pent-4-yn-2-yl ethanoate

Systemtic Name: 5-[4-(5-decoxypyrimidin-2-yl)phenyl]pent-4-yn-2-yl ethanoate Openeye Name: [4-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-but-3-ynyl] acetate CAS Name: acetic acid 5-[4-(5-decoxy-2-pyrimidinyl)phenyl]pent-4-yn-2-yl ester IUPAC Name: 5-[4-(5-decoxypyrimidin-2-yl)phenyl]pent-4-yn-2-yl acetate Traditional Name: acetic acid [4-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-but-3-ynyl] ester Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#CCC(C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#CCC(C)OC(=O)C

InChI

InChI=1S/C27H36N2O3/c1-4-5-6-7-8-9-10-11-19-31-26-20-28-27(29-21-26)25-17-15-24(16-18-25)14-12-13-22(2)32-23(3)30/h15-18,20-22H,4-11,13,19H2,1-3H3