5-(2,6-dimethoxyphenyl)-1-(4-oxidanylnaphthalen-1-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,6-dimethoxyphenyl)-1-(4-oxidanylnaphthalen-1-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(2,6-dimethoxyphenyl)-1-(4-hydroxy-1-naphthyl)pyrazole-3-carboxylic acid CAS Name: 5-(2,6-dimethoxyphenyl)-1-(4-hydroxy-1-naphthalenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,6-dimethoxyphenyl)-1-(4-hydroxynaphthalen-1-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(2,6-dimethoxyphenyl)-1-(4-hydroxy-1-naphthyl)pyrazole-3-carboxylic acid Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)O)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)O)C(=O)O

InChI

InChI=1S/C22H18N2O5/c1-28-19-8-5-9-20(29-2)21(19)17-12-15(22(26)27)23-24(17)16-10-11-18(25)14-7-4-3-6-13(14)16/h3-12,25H,1-2H3,(H,26,27)