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

Systemtic Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] nonanoate Openeye Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] nonanoate CAS Name: nonanoic acid [2-(4-dodecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] nonanoate Traditional Name: pelargonic acid [2-(4-lauryloxyphenyl)pyrimidin-5-yl] ester Formula: C31H48N2O3 MolecularWeight: 496.72442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCC

InChI

InChI=1S/C31H48N2O3/c1-3-5-7-9-11-12-13-14-16-18-24-35-28-22-20-27(21-23-28)31-32-25-29(26-33-31)36-30(34)19-17-15-10-8-6-4-2/h20-23,25-26H,3-19,24H2,1-2H3