4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid Openeye Name: 4-ethoxycarbonyl-5-isobutyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid Traditional Name: 4-carbethoxy-5-isobutyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)CC(C)C

InChI

InChI=1S/C18H22N2O5/c1-5-25-18(23)15-14(10-11(2)3)20(19-16(15)17(21)22)12-6-8-13(24-4)9-7-12/h6-9,11H,5,10H2,1-4H3,(H,21,22)