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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-butoxy-2-methyl-propanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-butoxy-2-methyl-propanoate CAS Name: 3-butoxy-2-methylpropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-butoxy-2-methylpropanoate Traditional Name: 3-butoxy-2-methyl-propionic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCC

InChI

InChI=1S/C25H36N2O3/c1-4-6-8-9-10-11-21-17-26-24(27-18-21)22-12-14-23(15-13-22)30-25(28)20(3)19-29-16-7-5-2/h12-15,17-18,20H,4-11,16,19H2,1-3H3