tert-butyl 4-butoxy-6,7-bis(chloranyl)-2-(3-ethoxy-3-oxidanylidene-propyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 4-butoxy-6,7-bis(chloranyl)-2-(3-ethoxy-3-oxidanylidene-propyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: tert-butyl 4-butoxy-6,7-dichloro-2-(3-ethoxy-3-oxo-propyl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-butoxy-6,7-dichloro-2-(3-ethoxy-3-oxopropyl)-1-oxo-3-isoquinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-butoxy-6,7-dichloro-2-(3-ethoxy-3-oxopropyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-butoxy-6,7-dichloro-2-(3-ethoxy-3-keto-propyl)-1-keto-isoquinoline-3-carboxylic acid tert-butyl ester Formula: C23H29Cl2NO6 MolecularWeight: 486.38546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29Cl2NO6/c1-6-8-11-31-20-14-12-16(24)17(25)13-15(14)21(28)26(10-9-18(27)30-7-2)19(20)22(29)32-23(3,4)5/h12-13H,6-11H2,1-5H3