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

Systemtic Name: [(E)-7-[4-(5-decoxypyrimidin-2-yl)phenyl]hept-6-en-2-yl] ethanoate Openeye Name: [(E)-6-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-hex-5-enyl] acetate CAS Name: acetic acid [(E)-7-[4-(5-decoxy-2-pyrimidinyl)phenyl]hept-6-en-2-yl] ester IUPAC Name: [(E)-7-[4-(5-decoxypyrimidin-2-yl)phenyl]hept-6-en-2-yl] acetate Traditional Name: acetic acid [(E)-6-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-hex-5-enyl] ester Formula: C29H42N2O3 MolecularWeight: 466.65538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O3/c1-4-5-6-7-8-9-10-14-21-33-28-22-30-29(31-23-28)27-19-17-26(18-20-27)16-13-11-12-15-24(2)34-25(3)32/h13,16-20,22-24H,4-12,14-15,21H2,1-3H3/b16-13+