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

Systemtic Name: [2-[4-(4-propylcyclohexyl)phenyl]pyrimidin-5-yl] octanoate Openeye Name: [2-[4-(4-propylcyclohexyl)phenyl]pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-[4-(4-propylcyclohexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-propylcyclohexyl)phenyl]pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-[4-(4-propylcyclohexyl)phenyl]pyrimidin-5-yl] ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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