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

Systemtic Name: (5-heptylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate Openeye Name: (5-heptylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate CAS Name: (E)-4-phenyl-2-dodecenoic acid (5-heptyl-2-pyrimidinyl) ester IUPAC Name: (5-heptylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate Traditional Name: (E)-4-phenyldodec-2-enoic acid (5-heptylpyrimidin-2-yl) ester Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC(=O)OC1=NC=C(C=N1)CCCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(/C=C/C(=O)OC1=NC=C(C=N1)CCCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C29H42N2O2/c1-3-5-7-9-11-14-20-27(26-18-15-12-16-19-26)21-22-28(32)33-29-30-23-25(24-31-29)17-13-10-8-6-4-2/h12,15-16,18-19,21-24,27H,3-11,13-14,17,20H2,1-2H3/b22-21+