methyl 4-[[4-(3-bromanylphenoxy)butanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-bromanylphenoxy)butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(3-bromophenoxy)butanoylamino]methyl]benzoate CAS Name: 4-[[[4-(3-bromophenoxy)-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-bromophenoxy)butanoylamino]methyl]benzoate Traditional Name: 4-[[4-(3-bromophenoxy)butanoylamino]methyl]benzoic acid methyl ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-24-19(23)15-9-7-14(8-10-15)13-21-18(22)6-3-11-25-17-5-2-4-16(20)12-17/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,22)