5-[[3-(3-bromophenyl)propanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[3-(3-bromophenyl)propanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[3-(3-bromophenyl)propanoylamino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[3-(3-bromophenyl)-1-oxopropyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[3-(3-bromophenyl)propanoylamino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[3-(3-bromophenyl)propanoylamino]methyl]-2-methoxy-benzoic acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C18H18BrNO4/c1-24-16-7-5-13(10-15(16)18(22)23)11-20-17(21)8-6-12-3-2-4-14(19)9-12/h2-5,7,9-10H,6,8,11H2,1H3,(H,20,21)(H,22,23)