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

Systemtic Name: [2-(4-nonylphenyl)pyrimidin-5-yl] heptanoate Openeye Name: [2-(4-nonylphenyl)pyrimidin-5-yl] heptanoate CAS Name: heptanoic acid [2-(4-nonylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nonylphenyl)pyrimidin-5-yl] heptanoate Traditional Name: enanthic acid [2-(4-nonylphenyl)pyrimidin-5-yl] ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O2/c1-3-5-7-9-10-11-12-14-22-16-18-23(19-17-22)26-27-20-24(21-28-26)30-25(29)15-13-8-6-4-2/h16-21H,3-15H2,1-2H3