2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynoxy]benzoic acid

Systemtic Name: 2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynoxy]benzoic acid Openeye Name: 2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynoxy]benzoic acid CAS Name: 2-[3-(2,4-dimethoxy-5-pyrimidinyl)prop-2-ynoxy]benzoic acid IUPAC Name: 2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynoxy]benzoic acid Traditional Name: 2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynoxy]benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C#CCOC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

COC1=NC(=NC=C1C#CCOC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C16H14N2O5/c1-21-14-11(10-17-16(18-14)22-2)6-5-9-23-13-8-4-3-7-12(13)15(19)20/h3-4,7-8,10H,9H2,1-2H3,(H,19,20)