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

Systemtic Name: [4-(2-decoxyphenyl)pyrimidin-5-yl] nonanoate Openeye Name: [4-(2-decoxyphenyl)pyrimidin-5-yl] nonanoate CAS Name: nonanoic acid [4-(2-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [4-(2-decoxyphenyl)pyrimidin-5-yl] nonanoate Traditional Name: pelargonic acid [4-(2-decoxyphenyl)pyrimidin-5-yl] ester Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC=C1C2=NC=NC=C2OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC=C1C2=NC=NC=C2OC(=O)CCCCCCCC

InChI

InChI=1S/C29H44N2O3/c1-3-5-7-9-11-12-14-18-22-33-26-20-17-16-19-25(26)29-27(23-30-24-31-29)34-28(32)21-15-13-10-8-6-4-2/h16-17,19-20,23-24H,3-15,18,21-22H2,1-2H3