(4-pentylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate

Systemtic Name: (4-pentylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Openeye Name: (4-pentylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)benzoic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)benzoic acid (4-amylcyclohexyl) ester Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

Isomeric SMILES

CCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

InChI

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