1-[(2-tert-butyl-5-chloranyl-1-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2-tert-butyl-5-chloranyl-1-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(2-tert-butyl-5-chloro-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[(2-tert-butyl-5-chloro-7-benzofuranyl)methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2-tert-butyl-5-chloro-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[(2-tert-butyl-5-chloro-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3/c1-10-5-14(17(22)23)20-21(10)9-12-7-13(19)6-11-8-15(18(2,3)4)24-16(11)12/h5-8H,9H2,1-4H3,(H,22,23)