(5-octoxy-2-phenyl-pyrimidin-4-yl) 4-(2-methylbutoxy)benzoate

Systemtic Name: (5-octoxy-2-phenyl-pyrimidin-4-yl) 4-(2-methylbutoxy)benzoate Openeye Name: (5-octoxy-2-phenyl-pyrimidin-4-yl) 4-(2-methylbutoxy)benzoate CAS Name: 4-(2-methylbutoxy)benzoic acid (5-octoxy-2-phenyl-4-pyrimidinyl) ester IUPAC Name: (5-octoxy-2-phenylpyrimidin-4-yl) 4-(2-methylbutoxy)benzoate Traditional Name: 4-(2-methylbutoxy)benzoic acid (5-octoxy-2-phenyl-pyrimidin-4-yl) ester Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1OC(=O)C2=CC=C(C=C2)OCC(C)CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1OC(=O)C2=CC=C(C=C2)OCC(C)CC)C3=CC=CC=C3

InChI

InChI=1S/C30H38N2O4/c1-4-6-7-8-9-13-20-34-27-21-31-28(24-14-11-10-12-15-24)32-29(27)36-30(33)25-16-18-26(19-17-25)35-22-23(3)5-2/h10-12,14-19,21,23H,4-9,13,20,22H2,1-3H3