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

Systemtic Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Openeye Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [4-[2-(4-nonylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C33H44N2O2 MolecularWeight: 500.71466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

InChI

InChI=1S/C33H44N2O2/c1-4-6-7-8-9-10-11-14-27-16-18-29(19-17-27)33-34-24-30(25-35-33)28-20-22-31(23-21-28)37-32(36)15-12-13-26(3)5-2/h16-26H,4-15H2,1-3H3