5-[4-(5-decoxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate

Systemtic Name: 5-[4-(5-decoxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate Openeye Name: [4-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-butyl] propanoate CAS Name: propanoic acid 5-[4-(5-decoxy-2-pyrimidinyl)phenyl]pentan-2-yl ester IUPAC Name: 5-[4-(5-decoxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate Traditional Name: propionic acid [4-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-butyl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3/c1-4-6-7-8-9-10-11-12-20-32-26-21-29-28(30-22-26)25-18-16-24(17-19-25)15-13-14-23(3)33-27(31)5-2/h16-19,21-23H,4-15,20H2,1-3H3