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

Systemtic Name: (4-butylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Openeye Name: (4-butylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)benzoic acid (4-butylcyclohexyl) ester IUPAC Name: (4-butylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)benzoic acid (4-butylcyclohexyl) ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

Isomeric SMILES

CCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

InChI

InChI=1S/C25H34N2O2/c1-3-5-7-19-9-15-23(16-10-19)29-25(28)22-13-11-21(12-14-22)24-26-17-20(18-27-24)8-6-4-2/h11-14,17-19,23H,3-10,15-16H2,1-2H3