[2-(4-octylphenyl)pyrimidin-5-yl] (E)-pent-2-enoate

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-pent-2-enoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C=CCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)/C=C/CC

InChI

InChI=1S/C23H30N2O2/c1-3-5-7-8-9-10-11-19-13-15-20(16-14-19)23-24-17-21(18-25-23)27-22(26)12-6-4-2/h6,12-18H,3-5,7-11H2,1-2H3/b12-6+