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

Systemtic Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 6-methyloctanoate Openeye Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-[4-(4-octylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C33H44N2O2 MolecularWeight: 500.71466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCC(C)CC

InChI

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