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

Systemtic Name: [4-(5-butylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate Openeye Name: [4-(5-butylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate CAS Name: 4-(2-methylbutyl)benzoic acid [4-(5-butyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate Traditional Name: 4-(2-methylbutyl)benzoic acid [4-(5-butylpyrimidin-2-yl)phenyl] ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC

InChI

InChI=1S/C26H30N2O2/c1-4-6-7-21-17-27-25(28-18-21)22-12-14-24(15-13-22)30-26(29)23-10-8-20(9-11-23)16-19(3)5-2/h8-15,17-19H,4-7,16H2,1-3H3