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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=CC=C2C#CCC(C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=CC=C2C#CCC(C)OC(=O)C

InChI

InChI=1S/C27H36N2O3/c1-4-5-6-7-8-9-10-13-19-31-25-20-28-27(29-21-25)26-18-12-11-16-24(26)17-14-15-22(2)32-23(3)30/h11-12,16,18,20-22H,4-10,13,15,19H2,1-3H3