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

Systemtic Name: 2-methylbutyl 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzoate Openeye Name: 2-methylbutyl 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(5-nonyl-2-pyrimidinyl)phenoxy]methyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzoic acid 2-methylbutyl ester Formula: C32H42N2O3 MolecularWeight: 502.68748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

InChI

InChI=1S/C32H42N2O3/c1-4-6-7-8-9-10-11-12-27-21-33-31(34-22-27)28-17-19-30(20-18-28)36-24-26-13-15-29(16-14-26)32(35)37-23-25(3)5-2/h13-22,25H,4-12,23-24H2,1-3H3