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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-dec-2-enoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-dec-2-enoate CAS Name: (E)-2-decenoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-dec-2-enoate Traditional Name: (E)-dec-2-enoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-9-11-13-15-17-27(31)32-26-22-29-28(30-23-26)25-20-18-24(19-21-25)16-14-12-10-8-6-4-2/h15,17-23H,3-14,16H2,1-2H3/b17-15+