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

Systemtic Name: ethyl 4-butoxy-6,7-bis(chloranyl)-2-(3-methylbutyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: ethyl 4-butoxy-6,7-dichloro-2-isopentyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-butoxy-6,7-dichloro-2-(3-methylbutyl)-1-oxo-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butoxy-6,7-dichloro-2-(3-methylbutyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-butoxy-6,7-dichloro-2-isoamyl-1-keto-isoquinoline-3-carboxylic acid ethyl ester Formula: C21H27Cl2NO4 MolecularWeight: 428.34938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27Cl2NO4/c1-5-7-10-28-19-14-11-16(22)17(23)12-15(14)20(25)24(9-8-13(3)4)18(19)21(26)27-6-2/h11-13H,5-10H2,1-4H3