(4-methylcyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate

Systemtic Name: (4-methylcyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-methylcyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 4-(5-propyl-2-pyrimidinyl)benzoic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-propylpyrimidin-2-yl)benzoic acid (4-methylcyclohexyl) ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C

InChI

InChI=1S/C21H26N2O2/c1-3-4-16-13-22-20(23-14-16)17-7-9-18(10-8-17)21(24)25-19-11-5-15(2)6-12-19/h7-10,13-15,19H,3-6,11-12H2,1-2H3