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

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] tridecanoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] tridecanoate CAS Name: tridecanoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] tridecanoate Traditional Name: tridecanoic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C31H48N2O3 MolecularWeight: 496.72442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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