(4-phenyl-5-undecoxy-pyrimidin-2-yl) 6-methyloctanoate

Systemtic Name: (4-phenyl-5-undecoxy-pyrimidin-2-yl) 6-methyloctanoate Openeye Name: (4-phenyl-5-undecoxy-pyrimidin-2-yl) 6-methyloctanoate CAS Name: 6-methyloctanoic acid (4-phenyl-5-undecoxy-2-pyrimidinyl) ester IUPAC Name: (4-phenyl-5-undecoxypyrimidin-2-yl) 6-methyloctanoate Traditional Name: 6-methylcaprylic acid (4-phenyl-5-undecoxy-pyrimidin-2-yl) ester Formula: C30H46N2O3 MolecularWeight: 482.69784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C30H46N2O3/c1-4-6-7-8-9-10-11-12-18-23-34-27-24-31-30(32-29(27)26-20-14-13-15-21-26)35-28(33)22-17-16-19-25(3)5-2/h13-15,20-21,24-25H,4-12,16-19,22-23H2,1-3H3