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

Systemtic Name: 2-methylbutyl 4-[oxidanyl-[4-(5-propylpyrimidin-2-yl)phenyl]methyl]benzoate Openeye Name: 2-methylbutyl 4-[hydroxy-[4-(5-propylpyrimidin-2-yl)phenyl]methyl]benzoate CAS Name: 4-[hydroxy-[4-(5-propyl-2-pyrimidinyl)phenyl]methyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[hydroxy-[4-(5-propylpyrimidin-2-yl)phenyl]methyl]benzoate Traditional Name: 4-[hydroxy-[4-(5-propylpyrimidin-2-yl)phenyl]methyl]benzoic acid 2-methylbutyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

InChI

InChI=1S/C26H30N2O3/c1-4-6-19-15-27-25(28-16-19)22-11-7-20(8-12-22)24(29)21-9-13-23(14-10-21)26(30)31-17-18(3)5-2/h7-16,18,24,29H,4-6,17H2,1-3H3