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

Systemtic Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] octanoate Openeye Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-(4-heptoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-(4-heptoxyphenyl)pyrimidin-5-yl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-3-5-7-9-11-13-24(28)30-23-19-26-25(27-20-23)21-14-16-22(17-15-21)29-18-12-10-8-6-4-2/h14-17,19-20H,3-13,18H2,1-2H3