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

Systemtic Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] nonanoate Openeye Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] nonanoate CAS Name: nonanoic acid [2-(4-heptoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] nonanoate Traditional Name: pelargonic acid [2-(4-heptoxyphenyl)pyrimidin-5-yl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3/c1-3-5-7-9-10-12-14-25(29)31-24-20-27-26(28-21-24)22-15-17-23(18-16-22)30-19-13-11-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3