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

Systemtic Name: 2-methylbutyl 4-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]benzoate Openeye Name: 2-methylbutyl 4-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(5-octyl-2-pyrimidinyl)phenoxy]methyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(5-octylpyrimidin-2-yl)phenoxy]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)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

InChI

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