[4-(5-pentylpyrimidin-2-yl)phenyl] (E)-6-cyclohexylhex-2-enoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] (E)-6-cyclohexylhex-2-enoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] (E)-6-cyclohexylhex-2-enoate CAS Name: (E)-6-cyclohexyl-2-hexenoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] (E)-6-cyclohexylhex-2-enoate Traditional Name: (E)-6-cyclohexylhex-2-enoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C=CCCCC3CCCCC3

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)/C=C/CCCC3CCCCC3

InChI

InChI=1S/C27H36N2O2/c1-2-3-6-14-23-20-28-27(29-21-23)24-16-18-25(19-17-24)31-26(30)15-10-5-9-13-22-11-7-4-8-12-22/h10,15-22H,2-9,11-14H2,1H3/b15-10+