[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 3-methylpentanoate

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 3-methylpentanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC(C)CC

InChI

InChI=1S/C29H36N2O2/c1-4-6-7-8-9-10-23-11-13-25(14-12-23)29-30-20-26(21-31-29)24-15-17-27(18-16-24)33-28(32)19-22(3)5-2/h11-18,20-22H,4-10,19H2,1-3H3