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

Systemtic Name: 4-(2-methylbutyl)-2-[4-(5-pentylpyrimidin-2-yl)phenyl]benzoate Openeye Name: 4-(2-methylbutyl)-2-[4-(5-pentylpyrimidin-2-yl)phenyl]benzoate CAS Name: 4-(2-methylbutyl)-2-[4-(5-pentyl-2-pyrimidinyl)phenyl]benzoate IUPAC Name: 4-(2-methylbutyl)-2-[4-(5-pentylpyrimidin-2-yl)phenyl]benzoate Traditional Name: 2-[4-(5-amylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate Formula: C27H31N2O2- MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)[O-]

InChI

InChI=1S/C27H32N2O2/c1-4-6-7-8-21-17-28-26(29-18-21)23-12-10-22(11-13-23)25-16-20(15-19(3)5-2)9-14-24(25)27(30)31/h9-14,16-19H,4-8,15H2,1-3H3,(H,30,31)/p-1