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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-but-2-enoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-3-5-6-7-8-9-11-18-12-14-19(15-13-18)22-23-16-20(17-24-22)26-21(25)10-4-2/h4,10,12-17H,3,5-9,11H2,1-2H3/b10-4+