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

Systemtic Name: ethyl 4-butoxy-6,7-bis(chloranyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: ethyl 4-butoxy-6,7-dichloro-2-isobutyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-butoxy-6,7-dichloro-2-(2-methylpropyl)-1-oxo-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butoxy-6,7-dichloro-2-(2-methylpropyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-butoxy-6,7-dichloro-2-isobutyl-1-keto-isoquinoline-3-carboxylic acid ethyl ester Formula: C20H25Cl2NO4 MolecularWeight: 414.3228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC(C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC(C)C)C(=O)OCC

InChI

InChI=1S/C20H25Cl2NO4/c1-5-7-8-27-18-13-9-15(21)16(22)10-14(13)19(24)23(11-12(3)4)17(18)20(25)26-6-2/h9-10,12H,5-8,11H2,1-4H3