[4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate

Systemtic Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate Openeye Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-[2-(4-pentylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-[2-(4-amylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CC

InChI

InChI=1S/C28H34N2O2/c1-4-6-7-8-22-10-12-24(13-11-22)28-29-19-25(20-30-28)23-14-16-26(17-15-23)32-27(31)18-9-21(3)5-2/h10-17,19-21H,4-9,18H2,1-3H3