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

Systemtic Name: [2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl] 6-methyloctanoate Openeye Name: [2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-[4-(4-propylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C28H34N2O2/c1-4-8-22-11-13-23(14-12-22)24-15-17-25(18-16-24)28-29-19-26(20-30-28)32-27(31)10-7-6-9-21(3)5-2/h11-21H,4-10H2,1-3H3