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

Systemtic Name: 5-methyl-1-[(2-propan-2-yl-1-benzofuran-7-yl)methyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(2-isopropylbenzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 5-methyl-1-[(2-propan-2-yl-7-benzofuranyl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-methyl-1-[(2-propan-2-yl-1-benzofuran-7-yl)methyl]pyrazole-3-carboxylic acid Traditional Name: 1-[(2-isopropylbenzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c1-10(2)15-8-12-5-4-6-13(16(12)22-15)9-19-11(3)7-14(18-19)17(20)21/h4-8,10H,9H2,1-3H3,(H,20,21)