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

Systemtic Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] octanoate Openeye Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-[4-(4-heptylcyclohexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] ester Formula: C31H46N2O2 MolecularWeight: 478.70914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N2O2/c1-3-5-7-9-11-13-25-15-17-26(18-16-25)27-19-21-28(22-20-27)31-32-23-29(24-33-31)35-30(34)14-12-10-8-6-4-2/h19-26H,3-18H2,1-2H3