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

Systemtic Name: 1-[[5-bromanyl-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-bromo-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-bromo-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-bromo-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-o-anisyloxy-benzyl)-5-methyl-pyrazole-3-carboxylic acid Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3OC)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3OC)C(=O)O

InChI

InChI=1S/C20H19BrN2O4/c1-13-9-17(20(24)25)22-23(13)11-15-10-16(21)7-8-19(15)27-12-14-5-3-4-6-18(14)26-2/h3-10H,11-12H2,1-2H3,(H,24,25)