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

Systemtic Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 2-methylpentanoate Openeye Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 2-methylpentanoate CAS Name: 2-methylpentanoic acid [4-(5-hexoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 2-methylpentanoate Traditional Name: 2-methylvaleric acid [4-(5-hexoxypyrimidin-2-yl)phenyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

InChI

InChI=1S/C22H30N2O3/c1-4-6-7-8-14-26-20-15-23-21(24-16-20)18-10-12-19(13-11-18)27-22(25)17(3)9-5-2/h10-13,15-17H,4-9,14H2,1-3H3