1-methyl-5-(4-octoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-methyl-5-(4-octoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-methyl-5-(4-octoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-methyl-5-(4-octoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-(4-octoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-methyl-5-(4-octoxyphenyl)pyrazole-3-carboxylic acid Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)O

InChI

InChI=1S/C19H26N2O3/c1-3-4-5-6-7-8-13-24-16-11-9-15(10-12-16)18-14-17(19(22)23)20-21(18)2/h9-12,14H,3-8,13H2,1-2H3,(H,22,23)