[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 6-methyltridecanoate

Systemtic Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 6-methyltridecanoate Openeye Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 6-methyltridecanoate CAS Name: 6-methyltridecanoic acid [4-[2-(4-octylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 6-methyltridecanoate Traditional Name: 6-methyltridecanoic acid [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C38H54N2O2 MolecularWeight: 570.84756

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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)CCCCC(C)CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C38H54N2O2/c1-4-6-8-10-12-14-19-32-21-23-34(24-22-32)38-39-29-35(30-40-38)33-25-27-36(28-26-33)42-37(41)20-16-15-18-31(3)17-13-11-9-7-5-2/h21-31H,4-20H2,1-3H3