[2-[4-(4-methoxybutoxy)-5-octoxy-pyrimidin-2-yl]phenyl] benzoate

Systemtic Name: [2-[4-(4-methoxybutoxy)-5-octoxy-pyrimidin-2-yl]phenyl] benzoate Openeye Name: [2-[4-(4-methoxybutoxy)-5-octoxy-pyrimidin-2-yl]phenyl] benzoate CAS Name: benzoic acid [2-[4-(4-methoxybutoxy)-5-octoxy-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-[4-(4-methoxybutoxy)-5-octoxypyrimidin-2-yl]phenyl] benzoate Traditional Name: benzoic acid [2-[4-(4-methoxybutoxy)-5-octoxy-pyrimidin-2-yl]phenyl] ester Formula: C30H38N2O5 MolecularWeight: 506.63312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1OCCCCOC)C2=CC=CC=C2OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1OCCCCOC)C2=CC=CC=C2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H38N2O5/c1-3-4-5-6-7-13-21-35-27-23-31-28(32-29(27)36-22-15-14-20-34-2)25-18-11-12-19-26(25)37-30(33)24-16-9-8-10-17-24/h8-12,16-19,23H,3-7,13-15,20-22H2,1-2H3