methyl 2-[2-(3-bromanylphenoxy)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(3-bromanylphenoxy)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[2-(3-bromophenoxy)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-bromophenoxy)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-(3-bromophenoxy)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)COC3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)COC3=CC(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C21H18BrNO5/c1-13-16-8-3-4-9-17(16)23-18(20(13)21(25)26-2)11-28-19(24)12-27-15-7-5-6-14(22)10-15/h3-10H,11-12H2,1-2H3