nonyl 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: nonyl 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: nonyl 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid nonyl ester IUPAC Name: nonyl 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid nonyl ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC

Isomeric SMILES

CCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC

InChI

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