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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O2/c1-3-5-7-9-10-12-20-14-16-21(17-15-20)24-25-18-22(19-26-24)28-23(27)13-11-8-6-4-2/h11,13-19H,3-10,12H2,1-2H3/b13-11+