3-(1-benzofuran-2-yl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(1-benzofuran-2-yl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 3-(benzofuran-2-yl)-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 3-(2-benzofuranyl)-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(1-benzofuran-2-yl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 3-(benzofuran-2-yl)-1-isobutyl-pyrazole-4-carboxylic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)C2=CC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C(=N1)C2=CC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C16H16N2O3/c1-10(2)8-18-9-12(16(19)20)15(17-18)14-7-11-5-3-4-6-13(11)21-14/h3-7,9-10H,8H2,1-2H3,(H,19,20)