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

Systemtic Name: (5-hexylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate Openeye Name: (5-hexylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate CAS Name: (E)-4-phenyl-2-dodecenoic acid (5-hexyl-2-pyrimidinyl) ester IUPAC Name: (5-hexylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate Traditional Name: (E)-4-phenyldodec-2-enoic acid (5-hexylpyrimidin-2-yl) ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-9-10-13-19-26(25-17-14-11-15-18-25)20-21-27(31)32-28-29-22-24(23-30-28)16-12-8-6-4-2/h11,14-15,17-18,20-23,26H,3-10,12-13,16,19H2,1-2H3/b21-20+