[2-(4-butylpyrimidin-2-yl)phenyl] 4-methylhexanoate

Systemtic Name: [2-(4-butylpyrimidin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-butylpyrimidin-2-yl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-butyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-butylpyrimidin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-butylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C21H28N2O2/c1-4-6-9-17-14-15-22-21(23-17)18-10-7-8-11-19(18)25-20(24)13-12-16(3)5-2/h7-8,10-11,14-16H,4-6,9,12-13H2,1-3H3