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

Systemtic Name: 1-[(5-chloranyl-2-cyclohexyl-1-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-cyclohexyl-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[(5-chloro-2-cyclohexyl-7-benzofuranyl)methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-chloro-2-cyclohexyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-cyclohexyl-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C3C(=CC(=C2)Cl)C=C(O3)C4CCCCC4)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=C3C(=CC(=C2)Cl)C=C(O3)C4CCCCC4)C(=O)O

InChI

InChI=1S/C20H21ClN2O3/c1-12-7-17(20(24)25)22-23(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,24,25)