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(4-heptylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate

Systemtic Name:	(4-heptylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate
Openeye Name:	(4-heptylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate
CAS Name:	4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-heptylcyclohexyl) ester
IUPAC Name:	(4-heptylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate
Traditional Name:	4-(5-amylpyrimidin-2-yl)benzoic acid (4-heptylcyclohexyl) ester
Formula:	C₂₉H₄₂N₂O₂
MolecularWeight:	450.65598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC

InChI

InChI=1S/C29H42N2O2/c1-3-5-7-8-10-11-23-13-19-27(20-14-23)33-29(32)26-17-15-25(16-18-26)28-30-21-24(22-31-28)12-9-6-4-2/h15-18,21-23,27H,3-14,19-20H2,1-2H3

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