[4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate

Systemtic Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Openeye Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [4-[2-(4-hexoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

InChI

InChI=1S/C30H38N2O3/c1-4-6-7-8-20-34-27-16-14-25(15-17-27)30-31-21-26(22-32-30)24-12-18-28(19-13-24)35-29(33)11-9-10-23(3)5-2/h12-19,21-23H,4-11,20H2,1-3H3