[4-(5-hexylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate CAS Name: 4-(2-methylbutyl)benzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate Traditional Name: 4-(2-methylbutyl)benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC

InChI

InChI=1S/C28H34N2O2/c1-4-6-7-8-9-23-19-29-27(30-20-23)24-14-16-26(17-15-24)32-28(31)25-12-10-22(11-13-25)18-21(3)5-2/h10-17,19-21H,4-9,18H2,1-3H3