2-methylbutyl 4-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]benzoate

Systemtic Name: 2-methylbutyl 4-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]benzoate Openeye Name: 2-methylbutyl 4-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(5-decyl-2-pyrimidinyl)phenoxy]methyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]benzoic acid 2-methylbutyl ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

InChI

InChI=1S/C33H44N2O3/c1-4-6-7-8-9-10-11-12-13-28-22-34-32(35-23-28)29-18-20-31(21-19-29)37-25-27-14-16-30(17-15-27)33(36)38-24-26(3)5-2/h14-23,26H,4-13,24-25H2,1-3H3