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

Systemtic Name: [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] heptanoate Openeye Name: [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] heptanoate CAS Name: heptanoic acid [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] heptanoate Traditional Name: enanthic acid [4-[2-[2-(4-amylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] ester Formula: C30H44N2O2 MolecularWeight: 464.68256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CN=CN=C1C2=CC=CC=C2CCC3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCC(=O)OC1=CN=CN=C1C2=CC=CC=C2CCC3CCC(CC3)CCCCC

InChI

InChI=1S/C30H44N2O2/c1-3-5-7-9-15-29(33)34-28-22-31-23-32-30(28)27-14-11-10-13-26(27)21-20-25-18-16-24(17-19-25)12-8-6-4-2/h10-11,13-14,22-25H,3-9,12,15-21H2,1-2H3