5-[[4-(3-bromanylphenoxy)butanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[4-(3-bromanylphenoxy)butanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-(3-bromophenoxy)butanoylamino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[4-(3-bromophenoxy)-1-oxobutyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-(3-bromophenoxy)butanoylamino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-(3-bromophenoxy)butanoylamino]methyl]-2-methoxy-benzoic acid Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCCOC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCCOC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C19H20BrNO5/c1-25-17-8-7-13(10-16(17)19(23)24)12-21-18(22)6-3-9-26-15-5-2-4-14(20)11-15/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,21,22)(H,23,24)