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

Systemtic Name: 2-methylbutyl 4-[oxidanyl-[4-(5-pentylpyrimidin-2-yl)phenyl]methyl]benzoate Openeye Name: 2-methylbutyl 4-[hydroxy-[4-(5-pentylpyrimidin-2-yl)phenyl]methyl]benzoate CAS Name: 4-[hydroxy-[4-(5-pentyl-2-pyrimidinyl)phenyl]methyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[hydroxy-[4-(5-pentylpyrimidin-2-yl)phenyl]methyl]benzoate Traditional Name: 4-[[4-(5-amylpyrimidin-2-yl)phenyl]-hydroxy-methyl]benzoic acid 2-methylbutyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

InChI

InChI=1S/C28H34N2O3/c1-4-6-7-8-21-17-29-27(30-18-21)24-13-9-22(10-14-24)26(31)23-11-15-25(16-12-23)28(32)33-19-20(3)5-2/h9-18,20,26,31H,4-8,19H2,1-3H3