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

Systemtic Name: 5-acetamido-1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]pyrazole-3-carboxylic acid Openeye Name: 5-acetamido-1-[(2-benzyloxy-5-bromo-phenyl)methyl]pyrazole-3-carboxylic acid CAS Name: 5-acetamido-1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-acetamido-1-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyrazole-3-carboxylic acid Traditional Name: 5-acetamido-1-(2-benzoxy-5-bromo-benzyl)pyrazole-3-carboxylic acid Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18BrN3O4/c1-13(25)22-19-10-17(20(26)27)23-24(19)11-15-9-16(21)7-8-18(15)28-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,25)(H,26,27)