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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate CAS Name: 2-methyl-3-propoxypropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-methyl-3-propoxypropanoate Traditional Name: 2-methyl-3-propoxy-propionic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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