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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-hex-2-enoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-hex-2-enoate CAS Name: (E)-2-hexenoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-hex-2-enoate Traditional Name: (E)-hex-2-enoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C24H32N2O2 MolecularWeight: 380.52308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O2/c1-3-5-7-8-9-11-12-20-14-16-21(17-15-20)24-25-18-22(19-26-24)28-23(27)13-10-6-4-2/h10,13-19H,3-9,11-12H2,1-2H3/b13-10+