methyl 4-[[2-(6-bromanylnaphthalen-2-yl)oxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(6-bromanylnaphthalen-2-yl)oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(6-bromo-2-naphthyl)oxy]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(6-bromo-2-naphthalenyl)oxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(6-bromo-2-naphthoxy)acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br

InChI

InChI=1S/C21H18BrNO4/c1-26-21(25)15-4-2-14(3-5-15)12-23-20(24)13-27-19-9-7-16-10-18(22)8-6-17(16)11-19/h2-11H,12-13H2,1H3,(H,23,24)