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ethyl 3-[4-butoxy-6,7-bis(chloranyl)-3-(hydroxymethyl)-1-oxidanylidene-isoquinolin-2-yl]propanoate

ethyl 3-[4-butoxy-6,7-bis(chloranyl)-3-(hydroxymethyl)-1-oxidanylidene-isoquinolin-2-yl]propanoate

Systemtic Name:ethyl 3-[4-butoxy-6,7-bis(chloranyl)-3-(hydroxymethyl)-1-oxidanylidene-isoquinolin-2-yl]propanoate
Openeye Name:ethyl 3-[4-butoxy-6,7-dichloro-3-(hydroxymethyl)-1-oxo-2-isoquinolyl]propanoate
CAS Name:3-[4-butoxy-6,7-dichloro-3-(hydroxymethyl)-1-oxo-2-isoquinolinyl]propanoic acid ethyl ester
IUPAC Name:ethyl 3-[4-butoxy-6,7-dichloro-3-(hydroxymethyl)-1-oxoisoquinolin-2-yl]propanoate
Traditional Name:3-(4-butoxy-6,7-dichloro-1-keto-3-methylol-2-isoquinolyl)propionic acid ethyl ester
Formula: C19H23Cl2NO5
MolecularWeight: 416.29562
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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)CO


Isomeric SMILES

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


InChI

InChI=1S/C19H23Cl2NO5/c1-3-5-8-27-18-12-9-14(20)15(21)10-13(12)19(25)22(16(18)11-23)7-6-17(24)26-4-2/h9-10,23H,3-8,11H2,1-2H3


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