1-[[5-bromanyl-2-[(4-tert-butylphenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[5-bromanyl-2-[(4-tert-butylphenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[5-bromo-2-(4-tert-butylbenzyl)oxy-benzyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C23H25BrN2O3 MolecularWeight: 457.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C23H25BrN2O3/c1-15-11-20(22(27)28)25-26(15)13-17-12-19(24)9-10-21(17)29-14-16-5-7-18(8-6-16)23(2,3)4/h5-12H,13-14H2,1-4H3,(H,27,28)