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

Systemtic Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-(4-heptoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CC

InChI

InChI=1S/C28H34N2O3/c1-4-6-7-8-9-18-32-25-14-12-23(13-15-25)27-29-19-24(20-30-27)22-10-16-26(17-11-22)33-28(31)21(3)5-2/h10-17,19-21H,4-9,18H2,1-3H3