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

Systemtic Name: 2-methylbutyl 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzoate Openeye Name: 2-methylbutyl 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(5-heptyl-2-pyrimidinyl)phenoxy]methyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzoic acid 2-methylbutyl ester Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

InChI

InChI=1S/C30H38N2O3/c1-4-6-7-8-9-10-25-19-31-29(32-20-25)26-15-17-28(18-16-26)34-22-24-11-13-27(14-12-24)30(33)35-21-23(3)5-2/h11-20,23H,4-10,21-22H2,1-3H3