1-[(5-bromanyl-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-isopropyl-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[(5-bromo-2-propan-2-yl-7-benzofuranyl)methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-bromo-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-isopropyl-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C17H17BrN2O3 MolecularWeight: 377.23248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C3C(=CC(=C2)Br)C=C(O3)C(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=C3C(=CC(=C2)Br)C=C(O3)C(C)C)C(=O)O

InChI

InChI=1S/C17H17BrN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)