methyl 4-[2-[4-(3-bromanylphenoxy)butanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[4-(3-bromanylphenoxy)butanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[4-(3-bromophenoxy)butanoylamino]ethyl]benzoate CAS Name: 4-[2-[[4-(3-bromophenoxy)-1-oxobutyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(3-bromophenoxy)butanoylamino]ethyl]benzoate Traditional Name: 4-[2-[4-(3-bromophenoxy)butanoylamino]ethyl]benzoic acid methyl ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c1-25-20(24)16-9-7-15(8-10-16)11-12-22-19(23)6-3-13-26-18-5-2-4-17(21)14-18/h2,4-5,7-10,14H,3,6,11-13H2,1H3,(H,22,23)