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

Systemtic Name: 4-[3-(4-phenylmethoxypyrimidin-5-yl)propyl]benzoic acid Openeye Name: 4-[3-(4-benzyloxypyrimidin-5-yl)propyl]benzoic acid CAS Name: 4-[3-(4-phenylmethoxy-5-pyrimidinyl)propyl]benzoic acid IUPAC Name: 4-[3-(4-phenylmethoxypyrimidin-5-yl)propyl]benzoic acid Traditional Name: 4-[3-(4-benzoxypyrimidin-5-yl)propyl]benzoic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC=NC=C2CCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC=NC=C2CCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N2O3/c24-21(25)18-11-9-16(10-12-18)7-4-8-19-13-22-15-23-20(19)26-14-17-5-2-1-3-6-17/h1-3,5-6,9-13,15H,4,7-8,14H2,(H,24,25)