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

Systemtic Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate Openeye Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [4-[2-(4-heptoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C32H42N2O3 MolecularWeight: 502.68748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CCCCCC

InChI

InChI=1S/C32H42N2O3/c1-4-6-8-10-12-22-36-29-18-16-27(17-19-29)31-33-23-28(24-34-31)26-14-20-30(21-15-26)37-32(35)25(3)13-11-9-7-5-2/h14-21,23-25H,4-13,22H2,1-3H3