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

Systemtic Name: [2-[4-(4-pentylcyclohexyl)phenyl]pyrimidin-5-yl] hexanoate Openeye Name: [2-[4-(4-pentylcyclohexyl)phenyl]pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-[4-(4-pentylcyclohexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-pentylcyclohexyl)phenyl]pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-[4-(4-amylcyclohexyl)phenyl]pyrimidin-5-yl] ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCC

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-9-21-11-13-22(14-12-21)23-15-17-24(18-16-23)27-28-19-25(20-29-27)31-26(30)10-8-6-4-2/h15-22H,3-14H2,1-2H3