(5-heptylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate

Systemtic Name: (5-heptylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate Openeye Name: (5-heptylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate CAS Name: (E)-4-phenyl-2-nonenoic acid (5-heptyl-2-pyrimidinyl) ester IUPAC Name: (5-heptylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate Traditional Name: (E)-4-phenylnon-2-enoic acid (5-heptylpyrimidin-2-yl) ester Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)OC(=O)C=CC(CCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)OC(=O)/C=C/C(CCCCC)C2=CC=CC=C2

InChI

InChI=1S/C26H36N2O2/c1-3-5-7-8-11-14-22-20-27-26(28-21-22)30-25(29)19-18-24(15-10-6-4-2)23-16-12-9-13-17-23/h9,12-13,16-21,24H,3-8,10-11,14-15H2,1-2H3/b19-18+