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

Systemtic Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Openeye Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [4-[2-(4-octylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C32H42N2O2 MolecularWeight: 486.68808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

InChI

InChI=1S/C32H42N2O2/c1-4-6-7-8-9-10-13-26-15-17-28(18-16-26)32-33-23-29(24-34-32)27-19-21-30(22-20-27)36-31(35)14-11-12-25(3)5-2/h15-25H,4-14H2,1-3H3