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

Systemtic Name: ethyl 6-bromanyl-4-[(3-propoxycarbonylphenyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 6-bromo-4-(3-propoxycarbonylanilino)quinoline-3-carboxylate CAS Name: 6-bromo-4-[3-[oxo(propoxy)methyl]anilino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(3-propoxycarbonylanilino)quinoline-3-carboxylate Traditional Name: 6-bromo-4-(3-propoxycarbonylanilino)quinoline-3-carboxylic acid ethyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C(=O)OCC)Br

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C(=O)OCC)Br

InChI

InChI=1S/C22H21BrN2O4/c1-3-10-29-21(26)14-6-5-7-16(11-14)25-20-17-12-15(23)8-9-19(17)24-13-18(20)22(27)28-4-2/h5-9,11-13H,3-4,10H2,1-2H3,(H,24,25)