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

Systemtic Name: [(E)-7-[4-(5-octoxypyrimidin-2-yl)phenyl]hept-6-en-2-yl] ethanoate Openeye Name: [(E)-1-methyl-6-[4-(5-octoxypyrimidin-2-yl)phenyl]hex-5-enyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [(E)-1-methyl-6-[4-(5-octoxypyrimidin-2-yl)phenyl]hex-5-enyl] ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O3/c1-4-5-6-7-8-12-19-31-26-20-28-27(29-21-26)25-17-15-24(16-18-25)14-11-9-10-13-22(2)32-23(3)30/h11,14-18,20-22H,4-10,12-13,19H2,1-3H3/b14-11+