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

Systemtic Name: ethyl 6-bromanyl-4-[(2-propoxyphenyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 6-bromo-4-(2-propoxyanilino)quinoline-3-carboxylate CAS Name: 6-bromo-4-(2-propoxyanilino)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(2-propoxyanilino)quinoline-3-carboxylate Traditional Name: 6-bromo-4-(2-propoxyanilino)quinoline-3-carboxylic acid ethyl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC2=C3C=C(C=CC3=NC=C2C(=O)OCC)Br

Isomeric SMILES

CCCOC1=CC=CC=C1NC2=C3C=C(C=CC3=NC=C2C(=O)OCC)Br

InChI

InChI=1S/C21H21BrN2O3/c1-3-11-27-19-8-6-5-7-18(19)24-20-15-12-14(22)9-10-17(15)23-13-16(20)21(25)26-4-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)