[4-(5-butylpyrimidin-2-yl)phenyl] 2-ethylpentanoate

Systemtic Name: [4-(5-butylpyrimidin-2-yl)phenyl] 2-ethylpentanoate Openeye Name: [4-(5-butylpyrimidin-2-yl)phenyl] 2-ethylpentanoate CAS Name: 2-ethylpentanoic acid [4-(5-butyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butylpyrimidin-2-yl)phenyl] 2-ethylpentanoate Traditional Name: 2-ethylvaleric acid [4-(5-butylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)CCC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)CCC

InChI

InChI=1S/C21H28N2O2/c1-4-7-9-16-14-22-20(23-15-16)18-10-12-19(13-11-18)25-21(24)17(6-3)8-5-2/h10-15,17H,4-9H2,1-3H3