ethyl 6-bromanyl-4-[[4-(2-methylpropoxy)phenyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-[[4-(2-methylpropoxy)phenyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 6-bromo-4-(4-isobutoxyanilino)quinoline-3-carboxylate CAS Name: 6-bromo-4-[4-(2-methylpropoxy)anilino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate Traditional Name: 6-bromo-4-(4-isobutoxyanilino)quinoline-3-carboxylic acid ethyl ester Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)OCC(C)C)Br

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)OCC(C)C)Br

InChI

InChI=1S/C22H23BrN2O3/c1-4-27-22(26)19-12-24-20-10-5-15(23)11-18(20)21(19)25-16-6-8-17(9-7-16)28-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,24,25)