[2-(4-octoxyphenyl)pyrimidin-5-yl] nonanoate

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] nonanoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] nonanoate CAS Name: nonanoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] nonanoate Traditional Name: pelargonic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCC

InChI

InChI=1S/C27H40N2O3/c1-3-5-7-9-11-13-15-26(30)32-25-21-28-27(29-22-25)23-16-18-24(19-17-23)31-20-14-12-10-8-6-4-2/h16-19,21-22H,3-15,20H2,1-2H3