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

Systemtic Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate Openeye Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate CAS Name: 4-(2-methylbutyl)benzoic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate Traditional Name: 4-(2-methylbutyl)benzoic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C33H44N2O2 MolecularWeight: 500.71466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC

InChI

InChI=1S/C33H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-28-24-34-32(35-25-28)29-19-21-31(22-20-29)37-33(36)30-17-15-27(16-18-30)23-26(3)5-2/h15-22,24-26H,4-14,23H2,1-3H3