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

Systemtic Name:	(5-octylpyrimidin-2-yl) (E)-4-phenyldec-2-enoate
Openeye Name:	(5-octylpyrimidin-2-yl) (E)-4-phenyldec-2-enoate
CAS Name:	(E)-4-phenyl-2-decenoic acid (5-octyl-2-pyrimidinyl) ester
IUPAC Name:	(5-octylpyrimidin-2-yl) (E)-4-phenyldec-2-enoate
Traditional Name:	(E)-4-phenyldec-2-enoic acid (5-octylpyrimidin-2-yl) ester
Formula:	C₂₈H₄₀N₂O₂
MolecularWeight:	436.6294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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

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