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

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] (E)-but-2-enoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-3-5-6-7-8-10-17-11-13-18(14-12-17)21-22-15-19(16-23-21)25-20(24)9-4-2/h4,9,11-16H,3,5-8,10H2,1-2H3/b9-4+