3-[2,3-dimethoxy-5-(pyrimidin-5-ylmethyl)phenyl]benzoic acid

Systemtic Name: 3-[2,3-dimethoxy-5-(pyrimidin-5-ylmethyl)phenyl]benzoic acid Openeye Name: 3-[2,3-dimethoxy-5-(pyrimidin-5-ylmethyl)phenyl]benzoic acid CAS Name: 3-[2,3-dimethoxy-5-(5-pyrimidinylmethyl)phenyl]benzoic acid IUPAC Name: 3-[2,3-dimethoxy-5-(pyrimidin-5-ylmethyl)phenyl]benzoic acid Traditional Name: 3-[2,3-dimethoxy-5-(5-pyrimidylmethyl)phenyl]benzoic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=CN=C2)C3=CC(=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=CN=C2)C3=CC(=CC=C3)C(=O)O)OC

InChI

InChI=1S/C20H18N2O4/c1-25-18-8-13(6-14-10-21-12-22-11-14)7-17(19(18)26-2)15-4-3-5-16(9-15)20(23)24/h3-5,7-12H,6H2,1-2H3,(H,23,24)