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

Systemtic Name: 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(2-benzyloxy-5-bromo-phenyl)methyl]pyrazole-3-carboxylic acid CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyrazole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-5-bromo-benzyl)pyrazole-3-carboxylic acid Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O3/c19-15-6-7-17(24-12-13-4-2-1-3-5-13)14(10-15)11-21-9-8-16(20-21)18(22)23/h1-10H,11-12H2,(H,22,23)