ethyl 5-chloranyl-6,8-dimethoxy-4-[(3-methylphenyl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6,8-dimethoxy-4-[(3-methylphenyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 5-chloro-6,8-dimethoxy-4-(3-methylanilino)quinoline-3-carboxylate CAS Name: 5-chloro-6,8-dimethoxy-4-(3-methylanilino)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6,8-dimethoxy-4-(3-methylanilino)quinoline-3-carboxylate Traditional Name: 5-chloro-6,8-dimethoxy-4-(m-toluidino)quinoline-3-carboxylic acid ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=CC(=C(C2=C1NC3=CC=CC(=C3)C)Cl)OC)OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=CC(=C(C2=C1NC3=CC=CC(=C3)C)Cl)OC)OC

InChI

InChI=1S/C21H21ClN2O4/c1-5-28-21(25)14-11-23-20-16(27-4)10-15(26-3)18(22)17(20)19(14)24-13-8-6-7-12(2)9-13/h6-11H,5H2,1-4H3,(H,23,24)