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

Systemtic Name: 2-methylbutyl 4-[[4-(5-butylpyrimidin-2-yl)phenoxy]methyl]benzoate Openeye Name: 2-methylbutyl 4-[[4-(5-butylpyrimidin-2-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(5-butyl-2-pyrimidinyl)phenoxy]methyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[[4-(5-butylpyrimidin-2-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(5-butylpyrimidin-2-yl)phenoxy]methyl]benzoic acid 2-methylbutyl ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OCC(C)CC

InChI

InChI=1S/C27H32N2O3/c1-4-6-7-22-16-28-26(29-17-22)23-12-14-25(15-13-23)31-19-21-8-10-24(11-9-21)27(30)32-18-20(3)5-2/h8-17,20H,4-7,18-19H2,1-3H3