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

Systemtic Name: [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] ethanoate Openeye Name: [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] acetate CAS Name: acetic acid [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] acetate Traditional Name: acetic acid [4-[2-[2-(4-amylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCC2=CC=CC=C2C3=NC=NC=C3OC(=O)C

Isomeric SMILES

CCCCCC1CCC(CC1)CCC2=CC=CC=C2C3=NC=NC=C3OC(=O)C

InChI

InChI=1S/C25H34N2O2/c1-3-4-5-8-20-11-13-21(14-12-20)15-16-22-9-6-7-10-23(22)25-24(29-19(2)28)17-26-18-27-25/h6-7,9-10,17-18,20-21H,3-5,8,11-16H2,1-2H3