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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-methyl-3-pentoxy-propanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-methyl-3-pentoxy-propanoate CAS Name: 2-methyl-3-pentoxypropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-methyl-3-pentoxypropanoate Traditional Name: 3-amoxy-2-methyl-propionic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCCC

InChI

InChI=1S/C27H40N2O3/c1-4-6-8-9-10-11-13-23-19-28-26(29-20-23)24-14-16-25(17-15-24)32-27(30)22(3)21-31-18-12-7-5-2/h14-17,19-20,22H,4-13,18,21H2,1-3H3