[4-(5-butylpyrimidin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate

Systemtic Name: [4-(5-butylpyrimidin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate Openeye Name: [4-(5-butylpyrimidin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate CAS Name: 2-methyl-3-propoxypropanoic acid [4-(5-butyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butylpyrimidin-2-yl)phenyl] 2-methyl-3-propoxypropanoate Traditional Name: 2-methyl-3-propoxy-propionic acid [4-(5-butylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-4-6-7-17-13-22-20(23-14-17)18-8-10-19(11-9-18)26-21(24)16(3)15-25-12-5-2/h8-11,13-14,16H,4-7,12,15H2,1-3H3