[4-(5-pentylpyrimidin-2-yl)phenyl] (E)-9-cyclohexylnon-2-enoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] (E)-9-cyclohexylnon-2-enoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] (E)-9-cyclohexylnon-2-enoate CAS Name: (E)-9-cyclohexyl-2-nonenoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] (E)-9-cyclohexylnon-2-enoate Traditional Name: (E)-9-cyclohexylnon-2-enoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C30H42N2O2 MolecularWeight: 462.66668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C=CCCCCCCC3CCCCC3

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)/C=C/CCCCCCC3CCCCC3

InChI

InChI=1S/C30H42N2O2/c1-2-3-9-17-26-23-31-30(32-24-26)27-19-21-28(22-20-27)34-29(33)18-13-7-5-4-6-10-14-25-15-11-8-12-16-25/h13,18-25H,2-12,14-17H2,1H3/b18-13+