ethyl 7,8-bis(chloranyl)-4-[2-(4-methylphenyl)carbonyloxyethylamino]quinoline-3-carboxylate

Systemtic Name: ethyl 7,8-bis(chloranyl)-4-[2-(4-methylphenyl)carbonyloxyethylamino]quinoline-3-carboxylate Openeye Name: ethyl 7,8-dichloro-4-[2-(4-methylbenzoyl)oxyethylamino]quinoline-3-carboxylate CAS Name: 7,8-dichloro-4-[2-[(4-methylphenyl)-oxomethoxy]ethylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dichloro-4-[2-(4-methylbenzoyl)oxyethylamino]quinoline-3-carboxylate Traditional Name: 7,8-dichloro-4-(2-p-toluoyloxyethylamino)quinoline-3-carboxylic acid ethyl ester Formula: C22H20Cl2N2O4 MolecularWeight: 447.3112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NCCOC(=O)C3=CC=C(C=C3)C)C=CC(=C2Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NCCOC(=O)C3=CC=C(C=C3)C)C=CC(=C2Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O4/c1-3-29-22(28)16-12-26-20-15(8-9-17(23)18(20)24)19(16)25-10-11-30-21(27)14-6-4-13(2)5-7-14/h4-9,12H,3,10-11H2,1-2H3,(H,25,26)