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

Systemtic Name: 2-methylbutyl 4-[[4-(5-octylpyrimidin-2-yl)phenyl]-oxidanyl-methyl]benzoate Openeye Name: 2-methylbutyl 4-[hydroxy-[4-(5-octylpyrimidin-2-yl)phenyl]methyl]benzoate CAS Name: 4-[hydroxy-[4-(5-octyl-2-pyrimidinyl)phenyl]methyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[hydroxy-[4-(5-octylpyrimidin-2-yl)phenyl]methyl]benzoate Traditional Name: 4-[hydroxy-[4-(5-octylpyrimidin-2-yl)phenyl]methyl]benzoic acid 2-methylbutyl ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

InChI

InChI=1S/C31H40N2O3/c1-4-6-7-8-9-10-11-24-20-32-30(33-21-24)27-16-12-25(13-17-27)29(34)26-14-18-28(19-15-26)31(35)36-22-23(3)5-2/h12-21,23,29,34H,4-11,22H2,1-3H3