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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-propylpentanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-propylpentanoate CAS Name: 2-propylpentanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-propylpentanoate Traditional Name: 2-propylvaleric acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CCC)CCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CCC)CCC

InChI

InChI=1S/C27H40N2O2/c1-4-7-8-9-10-11-12-15-22-20-28-26(29-21-22)23-16-18-25(19-17-23)31-27(30)24(13-5-2)14-6-3/h16-21,24H,4-15H2,1-3H3