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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-methyl-3-pentoxy-propanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-methyl-3-pentoxy-propanoate CAS Name: 2-methyl-3-pentoxypropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-methyl-3-pentoxypropanoate Traditional Name: 3-amoxy-2-methyl-propionic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3/c1-4-6-8-9-10-12-22-18-27-25(28-19-22)23-13-15-24(16-14-23)31-26(29)21(3)20-30-17-11-7-5-2/h13-16,18-19,21H,4-12,17,20H2,1-3H3