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

Systemtic Name: 4-ethoxycarbonyl-5-(2-methylpropyl)-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-ethoxycarbonyl-5-isobutyl-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-ethoxycarbonyl-5-(2-methylpropyl)-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxylic acid Traditional Name: 4-carbethoxy-5-isobutyl-1-phenyl-pyrazole-3-carboxylic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-4-23-17(22)14-13(10-11(2)3)19(18-15(14)16(20)21)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,20,21)