(4-ethylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-ethylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-ethylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-ethylcyclohexyl) ester IUPAC Name: (4-ethylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (4-ethylcyclohexyl) ester Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CC

InChI

InChI=1S/C26H36N2O2/c1-3-5-6-7-8-9-21-18-27-25(28-19-21)22-12-14-23(15-13-22)26(29)30-24-16-10-20(4-2)11-17-24/h12-15,18-20,24H,3-11,16-17H2,1-2H3