[2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] hexanoate

Systemtic Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] hexanoate Openeye Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-[4-(4-heptylcyclohexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] ester Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O2/c1-3-5-7-8-10-11-23-13-15-24(16-14-23)25-17-19-26(20-18-25)29-30-21-27(22-31-29)33-28(32)12-9-6-4-2/h17-24H,3-16H2,1-2H3