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

Systemtic Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 6-methyloctanoate Openeye Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C31H40N2O2/c1-4-6-7-8-12-25-14-16-26(17-15-25)27-18-20-28(21-19-27)31-32-22-29(23-33-31)35-30(34)13-10-9-11-24(3)5-2/h14-24H,4-13H2,1-3H3