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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)25-26-17-24(18-27-25)29-19(2)28/h13-18,20-21H,3-12H2,1-2H3