3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: 3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]benzoate Openeye Name: 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]benzoate Formula: C17H15BrNO4- MolecularWeight: 377.2093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C17H16BrNO4/c1-10-6-11(2)16(14(18)7-10)23-9-15(20)19-13-5-3-4-12(8-13)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)/p-1