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

Systemtic Name: (5-heptylpyrimidin-2-yl) (E)-4-phenyldec-2-enoate Openeye Name: (5-heptylpyrimidin-2-yl) (E)-4-phenyldec-2-enoate CAS Name: (E)-4-phenyl-2-decenoic acid (5-heptyl-2-pyrimidinyl) ester IUPAC Name: (5-heptylpyrimidin-2-yl) (E)-4-phenyldec-2-enoate Traditional Name: (E)-4-phenyldec-2-enoic acid (5-heptylpyrimidin-2-yl) ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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