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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC(C)C(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCC

Isomeric SMILES

CCCCCCCOCC(C)C(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCC

InChI

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