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

Systemtic Name: ethyl 4-[(3-chloranyl-2-methyl-phenyl)amino]-6-ethoxy-quinoline-3-carboxylate Openeye Name: ethyl 4-(3-chloro-2-methyl-anilino)-6-ethoxy-quinoline-3-carboxylate CAS Name: 4-(3-chloro-2-methylanilino)-6-ethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-2-methylanilino)-6-ethoxyquinoline-3-carboxylate Traditional Name: 4-(3-chloro-2-methyl-anilino)-6-ethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-4-26-14-9-10-19-15(11-14)20(16(12-23-19)21(25)27-5-2)24-18-8-6-7-17(22)13(18)3/h6-12H,4-5H2,1-3H3,(H,23,24)