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[4-(5-pentylpyrimidin-2-yl)phenyl] (E)-8-cyclohexyloct-2-enoate

Systemtic Name:	[4-(5-pentylpyrimidin-2-yl)phenyl] (E)-8-cyclohexyloct-2-enoate
Openeye Name:	[4-(5-pentylpyrimidin-2-yl)phenyl] (E)-8-cyclohexyloct-2-enoate
CAS Name:	(E)-8-cyclohexyl-2-octenoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester
IUPAC Name:	[4-(5-pentylpyrimidin-2-yl)phenyl] (E)-8-cyclohexyloct-2-enoate
Traditional Name:	(E)-8-cyclohexyloct-2-enoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester
Formula:	C₂₉H₄₀N₂O₂
MolecularWeight:	448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C=CCCCCCC3CCCCC3

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)/C=C/CCCCCC3CCCCC3

InChI

InChI=1S/C29H40N2O2/c1-2-3-8-16-25-22-30-29(31-23-25)26-18-20-27(21-19-26)33-28(32)17-12-6-4-5-9-13-24-14-10-7-11-15-24/h12,17-24H,2-11,13-16H2,1H3/b17-12+

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