[2-[4-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methyloctanoate

Systemtic Name: [2-[4-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methyloctanoate Openeye Name: [2-[4-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [2-[4-(4-decylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-[4-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [2-[4-(4-decylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C35H48N2O2 MolecularWeight: 528.76782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=CC=C3OC(=O)C(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=CC=C3OC(=O)C(C)CCCCCC

InChI

InChI=1S/C35H48N2O2/c1-4-6-8-10-11-12-13-15-19-29-22-24-30(25-23-29)32-26-27-36-34(37-32)31-20-16-17-21-33(31)39-35(38)28(3)18-14-9-7-5-2/h16-17,20-28H,4-15,18-19H2,1-3H3