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

Systemtic Name: ethyl 7,8-bis(chloranyl)-4-[2-(2-methylpropanoyloxy)ethylamino]quinoline-3-carboxylate Openeye Name: ethyl 7,8-dichloro-4-[2-(2-methylpropanoyloxy)ethylamino]quinoline-3-carboxylate CAS Name: 7,8-dichloro-4-[2-(2-methyl-1-oxopropoxy)ethylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dichloro-4-[2-(2-methylpropanoyloxy)ethylamino]quinoline-3-carboxylate Traditional Name: 7,8-dichloro-4-(2-isobutyryloxyethylamino)quinoline-3-carboxylic acid ethyl ester Formula: C18H20Cl2N2O4 MolecularWeight: 399.2684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2N2O4/c1-4-25-18(24)12-9-22-16-11(5-6-13(19)14(16)20)15(12)21-7-8-26-17(23)10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,21,22)