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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-24-19(23)15-6-4-14(5-7-15)13-21-18(22)3-2-12-25-17-10-8-16(20)9-11-17/h4-11H,2-3,12-13H2,1H3,(H,21,22)