2-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamoyl]benzoic acid Openeye Name: 2-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamoyl]benzoic acid CAS Name: 2-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamoyl]benzoic acid Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O)Br

InChI

InChI=1S/C20H21BrN2O5/c1-20(2,3)12-8-9-16(15(21)10-12)28-11-17(24)22-23-18(25)13-6-4-5-7-14(13)19(26)27/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)