2-tert-butyl-4-[3-(4-phenylmethoxypyrimidin-5-yl)propyl]benzoic acid

Systemtic Name: 2-tert-butyl-4-[3-(4-phenylmethoxypyrimidin-5-yl)propyl]benzoic acid Openeye Name: 4-[3-(4-benzyloxypyrimidin-5-yl)propyl]-2-tert-butyl-benzoic acid CAS Name: 2-tert-butyl-4-[3-(4-phenylmethoxy-5-pyrimidinyl)propyl]benzoic acid IUPAC Name: 2-tert-butyl-4-[3-(4-phenylmethoxypyrimidin-5-yl)propyl]benzoic acid Traditional Name: 4-[3-(4-benzoxypyrimidin-5-yl)propyl]-2-tert-butyl-benzoic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)CCCC2=CN=CN=C2OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)CCCC2=CN=CN=C2OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H28N2O3/c1-25(2,3)22-14-18(12-13-21(22)24(28)29)10-7-11-20-15-26-17-27-23(20)30-16-19-8-5-4-6-9-19/h4-6,8-9,12-15,17H,7,10-11,16H2,1-3H3,(H,28,29)