1-[(5-bromanyl-2-butoxy-phenyl)methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-butoxy-phenyl)methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-butoxy-phenyl)methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[(5-bromo-2-butoxyphenyl)methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-bromo-2-butoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-butoxy-benzyl)-5-methyl-pyrazole-3-carboxylic acid Formula: C16H19BrN2O3 MolecularWeight: 367.23766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)CN2C(=CC(=N2)C(=O)O)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)CN2C(=CC(=N2)C(=O)O)C

InChI

InChI=1S/C16H19BrN2O3/c1-3-4-7-22-15-6-5-13(17)9-12(15)10-19-11(2)8-14(18-19)16(20)21/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,20,21)