[(E)-4-[4-(5-decoxypyrimidin-2-yl)phenyl]but-3-en-2-yl] butanoate

Systemtic Name: [(E)-4-[4-(5-decoxypyrimidin-2-yl)phenyl]but-3-en-2-yl] butanoate Openeye Name: [(E)-3-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-allyl] butanoate CAS Name: butanoic acid [(E)-4-[4-(5-decoxy-2-pyrimidinyl)phenyl]but-3-en-2-yl] ester IUPAC Name: [(E)-4-[4-(5-decoxypyrimidin-2-yl)phenyl]but-3-en-2-yl] butanoate Traditional Name: butyric acid [(E)-3-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-allyl] ester Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O3/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)15-14-23(3)33-27(31)13-5-2/h14-19,21-23H,4-13,20H2,1-3H3/b15-14+