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

Systemtic Name: 2-methylbutyl 4-[[4-(5-hexylpyrimidin-2-yl)phenoxy]methyl]benzoate Openeye Name: 2-methylbutyl 4-[[4-(5-hexylpyrimidin-2-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(5-hexyl-2-pyrimidinyl)phenoxy]methyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[[4-(5-hexylpyrimidin-2-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(5-hexylpyrimidin-2-yl)phenoxy]methyl]benzoic acid 2-methylbutyl ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

InChI

InChI=1S/C29H36N2O3/c1-4-6-7-8-9-24-18-30-28(31-19-24)25-14-16-27(17-15-25)33-21-23-10-12-26(13-11-23)29(32)34-20-22(3)5-2/h10-19,22H,4-9,20-21H2,1-3H3