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

Systemtic Name: (5-octylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate Openeye Name: (5-octylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate CAS Name: (E)-4-phenyl-2-nonenoic acid (5-octyl-2-pyrimidinyl) ester IUPAC Name: (5-octylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate Traditional Name: (E)-4-phenylnon-2-enoic acid (5-octylpyrimidin-2-yl) ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)OC(=O)C=CC(CCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)OC(=O)/C=C/C(CCCCC)C2=CC=CC=C2

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-8-9-12-15-23-21-28-27(29-22-23)31-26(30)20-19-25(16-11-6-4-2)24-17-13-10-14-18-24/h10,13-14,17-22,25H,3-9,11-12,15-16H2,1-2H3/b20-19+