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

Systemtic Name: [2-(5-octylpyrimidin-4-yl)phenyl] nonanoate Openeye Name: [2-(5-octylpyrimidin-4-yl)phenyl] nonanoate CAS Name: nonanoic acid [2-(5-octyl-4-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-octylpyrimidin-4-yl)phenyl] nonanoate Traditional Name: pelargonic acid [2-(5-octylpyrimidin-4-yl)phenyl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OC(=O)CCCCCCCC

InChI

InChI=1S/C27H40N2O2/c1-3-5-7-9-11-13-17-23-21-28-22-29-27(23)24-18-15-16-19-25(24)31-26(30)20-14-12-10-8-6-4-2/h15-16,18-19,21-22H,3-14,17,20H2,1-2H3