2-azanyl-3-(3-bromophenyl)-3-ethanoyl-6,7-dimethoxy-2-methyl-4H-quinoline-1-carboxylic acid

Systemtic Name: 2-azanyl-3-(3-bromophenyl)-3-ethanoyl-6,7-dimethoxy-2-methyl-4H-quinoline-1-carboxylic acid Openeye Name: 3-acetyl-2-amino-3-(3-bromophenyl)-6,7-dimethoxy-2-methyl-4H-quinoline-1-carboxylic acid CAS Name: 3-acetyl-2-amino-3-(3-bromophenyl)-6,7-dimethoxy-2-methyl-4H-quinoline-1-carboxylic acid IUPAC Name: 3-acetyl-2-amino-3-(3-bromophenyl)-6,7-dimethoxy-2-methyl-4H-quinoline-1-carboxylic acid Traditional Name: 3-acetyl-2-amino-3-(3-bromophenyl)-6,7-dimethoxy-2-methyl-4H-quinoline-1-carboxylic acid Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC2=CC(=C(C=C2N(C1(C)N)C(=O)O)OC)OC)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)C1(CC2=CC(=C(C=C2N(C1(C)N)C(=O)O)OC)OC)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O5/c1-12(25)21(14-6-5-7-15(22)9-14)11-13-8-17(28-3)18(29-4)10-16(13)24(19(26)27)20(21,2)23/h5-10H,11,23H2,1-4H3,(H,26,27)