ethyl 6,7-bis(chloranyl)-2-(2-methylpropyl)-1-oxidanylidene-4-pentoxy-isoquinoline-3-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-2-(2-methylpropyl)-1-oxidanylidene-4-pentoxy-isoquinoline-3-carboxylate Openeye Name: ethyl 6,7-dichloro-2-isobutyl-1-oxo-4-pentoxy-isoquinoline-3-carboxylate CAS Name: 6,7-dichloro-2-(2-methylpropyl)-1-oxo-4-pentoxy-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-2-(2-methylpropyl)-1-oxo-4-pentoxyisoquinoline-3-carboxylate Traditional Name: 4-amoxy-6,7-dichloro-2-isobutyl-1-keto-isoquinoline-3-carboxylic acid ethyl ester Formula: C21H27Cl2NO4 MolecularWeight: 428.34938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC(C)C)C(=O)OCC

Isomeric SMILES

CCCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC(C)C)C(=O)OCC

InChI

InChI=1S/C21H27Cl2NO4/c1-5-7-8-9-28-19-14-10-16(22)17(23)11-15(14)20(25)24(12-13(3)4)18(19)21(26)27-6-2/h10-11,13H,5-9,12H2,1-4H3