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

Systemtic Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 4-methyloctanoate Openeye Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 4-methyloctanoate CAS Name: 4-methyloctanoic acid [4-[2-(4-hexoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 4-methyloctanoate Traditional Name: 4-methylcaprylic acid [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CCCC

InChI

InChI=1S/C31H40N2O3/c1-4-6-8-9-21-35-28-16-14-26(15-17-28)31-32-22-27(23-33-31)25-12-18-29(19-13-25)36-30(34)20-11-24(3)10-7-5-2/h12-19,22-24H,4-11,20-21H2,1-3H3