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

Systemtic Name: (4-cyanocyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-cyanocyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 4-(5-propyl-2-pyrimidinyl)benzoic acid (4-cyanocyclohexyl) ester IUPAC Name: (4-cyanocyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-propylpyrimidin-2-yl)benzoic acid (4-cyanocyclohexyl) ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-2-3-16-13-23-20(24-14-16)17-6-8-18(9-7-17)21(25)26-19-10-4-15(12-22)5-11-19/h6-9,13-15,19H,2-5,10-11H2,1H3