[4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-(4-octoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CC

InChI

InChI=1S/C29H36N2O3/c1-4-6-7-8-9-10-19-33-26-15-13-24(14-16-26)28-30-20-25(21-31-28)23-11-17-27(18-12-23)34-29(32)22(3)5-2/h11-18,20-22H,4-10,19H2,1-3H3