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

Systemtic Name: 1-[[5-bromanyl-2-[(3-methylphenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-bromo-2-(m-tolylmethoxy)phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[5-bromo-2-(3-methylbenzyl)oxy-benzyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)Br)CN3C(=CC(=N3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)Br)CN3C(=CC(=N3)C(=O)O)C

InChI

InChI=1S/C20H19BrN2O3/c1-13-4-3-5-15(8-13)12-26-19-7-6-17(21)10-16(19)11-23-14(2)9-18(22-23)20(24)25/h3-10H,11-12H2,1-2H3,(H,24,25)