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

Systemtic Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] octanoate Openeye Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-(4-undecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-(4-undecoxyphenyl)pyrimidin-5-yl] ester Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCC

InChI

InChI=1S/C29H44N2O3/c1-3-5-7-9-10-11-12-14-16-22-33-26-20-18-25(19-21-26)29-30-23-27(24-31-29)34-28(32)17-15-13-8-6-4-2/h18-21,23-24H,3-17,22H2,1-2H3