[2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate

Systemtic Name: [2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate Openeye Name: [2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate CAS Name: (E)-3-octenoic acid [2-[4-(4-pentylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate Traditional Name: (E)-oct-3-enoic acid [2-[4-(4-amylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C29H34N2O2 MolecularWeight: 442.59246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CC=CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C/C=C/CCCC

InChI

InChI=1S/C29H34N2O2/c1-3-5-7-8-10-12-28(32)33-27-21-30-29(31-22-27)26-19-17-25(18-20-26)24-15-13-23(14-16-24)11-9-6-4-2/h8,10,13-22H,3-7,9,11-12H2,1-2H3/b10-8+