2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pent-1-ynyl-benzoic acid

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pent-1-ynyl-benzoic acid Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pent-1-ynyl-benzoic acid CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-pent-1-ynylbenzoic acid IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pent-1-ynylbenzoic acid Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pent-1-ynyl-benzoic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)O

Isomeric SMILES

CCCC#CC1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)O

InChI

InChI=1S/C18H18N2O5/c1-4-5-6-8-12-9-7-10-13(16(12)17(21)22)25-18-19-14(23-2)11-15(20-18)24-3/h7,9-11H,4-5H2,1-3H3,(H,21,22)