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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C=CCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)/C=C/CC

InChI

InChI=1S/C22H28N2O2/c1-3-5-7-8-9-10-18-12-14-19(15-13-18)22-23-16-20(17-24-22)26-21(25)11-6-4-2/h6,11-17H,3-5,7-10H2,1-2H3/b11-6+