5-[[2-(3-bromanylphenoxy)ethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(3-bromanylphenoxy)ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-(3-bromophenoxy)acetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-(3-bromophenoxy)-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(3-bromophenoxy)acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-(3-bromophenoxy)acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C17H16BrNO5 MolecularWeight: 394.21664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C17H16BrNO5/c1-23-15-6-5-11(7-14(15)17(21)22)9-19-16(20)10-24-13-4-2-3-12(18)8-13/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)