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

Systemtic Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 2-ethylpentanoate Openeye Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 2-ethylpentanoate CAS Name: 2-ethylpentanoic acid [4-(5-butoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 2-ethylpentanoate Traditional Name: 2-ethylvaleric acid [4-(5-butoxypyrimidin-2-yl)phenyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)CCC

Isomeric SMILES

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)CCC

InChI

InChI=1S/C21H28N2O3/c1-4-7-13-25-19-14-22-20(23-15-19)17-9-11-18(12-10-17)26-21(24)16(6-3)8-5-2/h9-12,14-16H,4-8,13H2,1-3H3