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

Systemtic Name: [4-(5-butylpyrimidin-2-yl)phenyl] 3-butoxy-2-methyl-propanoate Openeye Name: [4-(5-butylpyrimidin-2-yl)phenyl] 3-butoxy-2-methyl-propanoate CAS Name: 3-butoxy-2-methylpropanoic acid [4-(5-butyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butylpyrimidin-2-yl)phenyl] 3-butoxy-2-methylpropanoate Traditional Name: 3-butoxy-2-methyl-propionic acid [4-(5-butylpyrimidin-2-yl)phenyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-4-6-8-18-14-23-21(24-15-18)19-9-11-20(12-10-19)27-22(25)17(3)16-26-13-7-5-2/h9-12,14-15,17H,4-8,13,16H2,1-3H3