1-[2-[4-(4-undecoxyphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl octanoate

Systemtic Name: 1-[2-[4-(4-undecoxyphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl octanoate Openeye Name: [1-methyl-2-[2-[4-(4-undecoxyphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] octanoate CAS Name: octanoic acid 1-[[2-[4-(4-undecoxyphenyl)phenyl]-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-[4-(4-undecoxyphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl octanoate Traditional Name: caprylic acid [1-methyl-2-[2-[4-(4-undecoxyphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] ester Formula: C38H54N2O4 MolecularWeight: 602.84636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCCCC

InChI

InChI=1S/C38H54N2O4/c1-4-6-8-10-11-12-13-15-17-27-42-35-25-23-33(24-26-35)32-19-21-34(22-20-32)38-39-28-36(29-40-38)43-30-31(3)44-37(41)18-16-14-9-7-5-2/h19-26,28-29,31H,4-18,27,30H2,1-3H3