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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-butoxy-2-methyl-propanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-butoxy-2-methyl-propanoate CAS Name: 3-butoxy-2-methylpropanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-butoxy-2-methylpropanoate Traditional Name: 3-butoxy-2-methyl-propionic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCC

InChI

InChI=1S/C23H32N2O3/c1-4-6-8-9-19-15-24-22(25-16-19)20-10-12-21(13-11-20)28-23(26)18(3)17-27-14-7-5-2/h10-13,15-16,18H,4-9,14,17H2,1-3H3