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

Systemtic Name: methyl 2-[2-[(4-bromophenyl)carbonylamino]ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[2-[(4-bromobenzoyl)amino]acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-bromobenzoyl)amino]acetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-[(4-bromobenzoyl)amino]acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H19BrN2O5 MolecularWeight: 471.30066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O5/c1-13-16-5-3-4-6-17(16)25-18(20(13)22(28)29-2)12-30-19(26)11-24-21(27)14-7-9-15(23)10-8-14/h3-10H,11-12H2,1-2H3,(H,24,27)