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

Systemtic Name: 1-[(5-cyano-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(5-cyano-2-isopropyl-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[(5-cyano-2-propan-2-yl-7-benzofuranyl)methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-cyano-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[(5-cyano-2-isopropyl-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC3=C2OC(=C3)C(C)C)C#N)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC3=C2OC(=C3)C(C)C)C#N)C(=O)O

InChI

InChI=1S/C18H17N3O3/c1-10(2)16-7-13-5-12(8-19)6-14(17(13)24-16)9-21-11(3)4-15(20-21)18(22)23/h4-7,10H,9H2,1-3H3,(H,22,23)