4-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]methyl]benzoate Formula: C17H14Br2NO4- MolecularWeight: 456.10536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NCC2=CC=C(C=C2)C(=O)[O-])Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NCC2=CC=C(C=C2)C(=O)[O-])Br)Br

InChI

InChI=1S/C17H15Br2NO4/c1-10-6-13(18)7-14(19)16(10)24-9-15(21)20-8-11-2-4-12(5-3-11)17(22)23/h2-7H,8-9H2,1H3,(H,20,21)(H,22,23)/p-1