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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] nonanoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] nonanoate CAS Name: nonanoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] nonanoate Traditional Name: pelargonic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCCC

InChI

InChI=1S/C29H44N2O2/c1-3-5-7-9-11-12-13-15-17-25-23-30-29(31-24-25)26-19-21-27(22-20-26)33-28(32)18-16-14-10-8-6-4-2/h19-24H,3-18H2,1-2H3