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

Systemtic Name: [2-[4-(4-propylcyclohexyl)phenyl]pyrimidin-5-yl] ethanoate Openeye Name: [2-[4-(4-propylcyclohexyl)phenyl]pyrimidin-5-yl] acetate CAS Name: acetic acid [2-[4-(4-propylcyclohexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-propylcyclohexyl)phenyl]pyrimidin-5-yl] acetate Traditional Name: acetic acid [2-[4-(4-propylcyclohexyl)phenyl]pyrimidin-5-yl] ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C

InChI

InChI=1S/C21H26N2O2/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)21-22-13-20(14-23-21)25-15(2)24/h9-14,16-17H,3-8H2,1-2H3