(4-pyrimidin-2-ylphenyl) 3-(4-ethylcyclohexyl)propanoate

Systemtic Name: (4-pyrimidin-2-ylphenyl) 3-(4-ethylcyclohexyl)propanoate Openeye Name: (4-pyrimidin-2-ylphenyl) 3-(4-ethylcyclohexyl)propanoate CAS Name: 3-(4-ethylcyclohexyl)propanoic acid [4-(2-pyrimidinyl)phenyl] ester IUPAC Name: (4-pyrimidin-2-ylphenyl) 3-(4-ethylcyclohexyl)propanoate Traditional Name: 3-(4-ethylcyclohexyl)propionic acid [4-(2-pyrimidyl)phenyl] ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)CCC(=O)OC2=CC=C(C=C2)C3=NC=CC=N3

Isomeric SMILES

CCC1CCC(CC1)CCC(=O)OC2=CC=C(C=C2)C3=NC=CC=N3

InChI

InChI=1S/C21H26N2O2/c1-2-16-4-6-17(7-5-16)8-13-20(24)25-19-11-9-18(10-12-19)21-22-14-3-15-23-21/h3,9-12,14-17H,2,4-8,13H2,1H3