[4-(5-octylpyrimidin-2-yl)phenyl] 2-propylpentanoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-propylpentanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-propylpentanoate CAS Name: 2-propylpentanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-propylpentanoate Traditional Name: 2-propylvaleric acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O2/c1-4-7-8-9-10-11-14-21-19-27-25(28-20-21)22-15-17-24(18-16-22)30-26(29)23(12-5-2)13-6-3/h15-20,23H,4-14H2,1-3H3