methyl 4-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamoyl]benzoate CAS Name: 4-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamoyl]benzoic acid methyl ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C21H23BrN2O5/c1-21(2,3)15-9-10-17(16(22)11-15)29-12-18(25)23-24-19(26)13-5-7-14(8-6-13)20(27)28-4/h5-11H,12H2,1-4H3,(H,23,25)(H,24,26)