1-phenyl-5-(pyridin-4-ylmethoxy)pyrazole-4-carboxylic acid

Systemtic Name: 1-phenyl-5-(pyridin-4-ylmethoxy)pyrazole-4-carboxylic acid Openeye Name: 1-phenyl-5-(4-pyridylmethoxy)pyrazole-4-carboxylic acid CAS Name: 1-phenyl-5-(pyridin-4-ylmethoxy)-4-pyrazolecarboxylic acid IUPAC Name: 1-phenyl-5-(pyridin-4-ylmethoxy)pyrazole-4-carboxylic acid Traditional Name: 1-phenyl-5-(4-pyridylmethoxy)pyrazole-4-carboxylic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)OCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)OCC3=CC=NC=C3

InChI

InChI=1S/C16H13N3O3/c20-16(21)14-10-18-19(13-4-2-1-3-5-13)15(14)22-11-12-6-8-17-9-7-12/h1-10H,11H2,(H,20,21)