[2-(4-nonylphenyl)pyrimidin-5-yl] octanoate

Systemtic Name: [2-(4-nonylphenyl)pyrimidin-5-yl] octanoate Openeye Name: [2-(4-nonylphenyl)pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-(4-nonylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nonylphenyl)pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-(4-nonylphenyl)pyrimidin-5-yl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCC

InChI

InChI=1S/C27H40N2O2/c1-3-5-7-9-10-12-13-15-23-17-19-24(20-18-23)27-28-21-25(22-29-27)31-26(30)16-14-11-8-6-4-2/h17-22H,3-16H2,1-2H3