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

Systemtic Name: [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Openeye Name: [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [4-[2-(4-butylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

InChI

InChI=1S/C28H34N2O2/c1-4-6-9-22-11-13-24(14-12-22)28-29-19-25(20-30-28)23-15-17-26(18-16-23)32-27(31)10-7-8-21(3)5-2/h11-21H,4-10H2,1-3H3