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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate CAS Name: 3-heptoxy-2-methylpropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methylpropanoate Traditional Name: 3-heptoxy-2-methyl-propionic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O3/c1-4-6-8-10-11-13-15-25-21-30-28(31-22-25)26-16-18-27(19-17-26)34-29(32)24(3)23-33-20-14-12-9-7-5-2/h16-19,21-22,24H,4-15,20,23H2,1-3H3