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

Systemtic Name: ethyl 4-[(4-bromanyl-2-methyl-phenyl)amino]-6-ethoxy-quinoline-3-carboxylate Openeye Name: ethyl 4-(4-bromo-2-methyl-anilino)-6-ethoxy-quinoline-3-carboxylate CAS Name: 4-(4-bromo-2-methylanilino)-6-ethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-2-methylanilino)-6-ethoxyquinoline-3-carboxylate Traditional Name: 4-(4-bromo-2-methyl-anilino)-6-ethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrN2O3/c1-4-26-15-7-9-19-16(11-15)20(17(12-23-19)21(25)27-5-2)24-18-8-6-14(22)10-13(18)3/h6-12H,4-5H2,1-3H3,(H,23,24)