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

Systemtic Name: [4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl] (E)-oct-5-enoate Openeye Name: [4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl] (E)-oct-5-enoate CAS Name: (E)-5-octenoic acid [4-[4-(5-pentyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl] (E)-oct-5-enoate Traditional Name: (E)-oct-5-enoic acid [4-[4-(5-amylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C29H34N2O2 MolecularWeight: 442.59246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC=CCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCC/C=C/CC

InChI

InChI=1S/C29H34N2O2/c1-3-5-7-8-10-12-28(32)33-27-19-17-25(18-20-27)24-13-15-26(16-14-24)29-30-21-23(22-31-29)11-9-6-4-2/h5,7,13-22H,3-4,6,8-12H2,1-2H3/b7-5+