[2-[4-(4-pentylcyclohexyl)phenyl]pyrimidin-5-yl] octanoate

Systemtic Name: [2-[4-(4-pentylcyclohexyl)phenyl]pyrimidin-5-yl] octanoate Openeye Name: [2-[4-(4-pentylcyclohexyl)phenyl]pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-[4-(4-pentylcyclohexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-pentylcyclohexyl)phenyl]pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-[4-(4-amylcyclohexyl)phenyl]pyrimidin-5-yl] ester Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)CCCCC

InChI

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