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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-butoxy-2-methyl-propanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-butoxy-2-methyl-propanoate CAS Name: 3-butoxy-2-methylpropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-butoxy-2-methylpropanoate Traditional Name: 3-butoxy-2-methyl-propionic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCC

InChI

InChI=1S/C24H34N2O3/c1-4-6-8-9-10-20-16-25-23(26-17-20)21-11-13-22(14-12-21)29-24(27)19(3)18-28-15-7-5-2/h11-14,16-17,19H,4-10,15,18H2,1-3H3