[4-(5-pentoxypyrimidin-2-yl)phenyl] 2-methylpentanoate

Systemtic Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 2-methylpentanoate Openeye Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 2-methylpentanoate CAS Name: 2-methylpentanoic acid [4-(5-pentoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 2-methylpentanoate Traditional Name: 2-methylvaleric acid [4-(5-amoxypyrimidin-2-yl)phenyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

Isomeric SMILES

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

InChI

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