methyl 4-[[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[[3-[(2-bromophenoxy)methyl]-4-methoxy-benzoyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-bromophenoxy)methyl]-4-methoxybenzoyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[3-[(2-bromophenoxy)methyl]-4-methoxy-benzoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C22H22BrN3O5 MolecularWeight: 488.33118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)OC)COC3=CC=CC=C3Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)OC)COC3=CC=CC=C3Br

InChI

InChI=1S/C22H22BrN3O5/c1-4-26-12-17(20(25-26)22(28)30-3)24-21(27)14-9-10-18(29-2)15(11-14)13-31-19-8-6-5-7-16(19)23/h5-12H,4,13H2,1-3H3,(H,24,27)