[(E)-7-[4-(5-octoxypyrimidin-2-yl)phenyl]hept-6-en-2-yl] propanoate

Systemtic Name: [(E)-7-[4-(5-octoxypyrimidin-2-yl)phenyl]hept-6-en-2-yl] propanoate Openeye Name: [(E)-1-methyl-6-[4-(5-octoxypyrimidin-2-yl)phenyl]hex-5-enyl] propanoate CAS Name: propanoic acid [(E)-7-[4-(5-octoxy-2-pyrimidinyl)phenyl]hept-6-en-2-yl] ester IUPAC Name: [(E)-7-[4-(5-octoxypyrimidin-2-yl)phenyl]hept-6-en-2-yl] propanoate Traditional Name: propionic acid [(E)-1-methyl-6-[4-(5-octoxypyrimidin-2-yl)phenyl]hex-5-enyl] ester Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C=CCCCC(C)OC(=O)CC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/CCCC(C)OC(=O)CC

InChI

InChI=1S/C28H40N2O3/c1-4-6-7-8-9-13-20-32-26-21-29-28(30-22-26)25-18-16-24(17-19-25)15-12-10-11-14-23(3)33-27(31)5-2/h12,15-19,21-23H,4-11,13-14,20H2,1-3H3/b15-12+