3-(2,5-diethoxy-4-phenyl-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(2,5-diethoxy-4-phenyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2,5-diethoxy-4-phenyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(2,5-diethoxy-4-phenylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2,5-diethoxy-4-phenylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2,5-diethoxy-4-phenyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C2=CC=CC=C2)OCC)C3=NNC(=C3)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1C2=CC=CC=C2)OCC)C3=NNC(=C3)C(=O)O

InChI

InChI=1S/C20H20N2O4/c1-3-25-18-11-15(16-12-17(20(23)24)22-21-16)19(26-4-2)10-14(18)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,21,22)(H,23,24)