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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] nonanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] nonanoate CAS Name: nonanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] nonanoate Traditional Name: pelargonic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O2/c1-3-5-7-9-11-12-14-16-24-22-29-28(30-23-24)25-18-20-26(21-19-25)32-27(31)17-15-13-10-8-6-4-2/h18-23H,3-17H2,1-2H3