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

Systemtic Name: ethyl 4-butoxy-6,7-bis(chloranyl)-2-(furan-2-ylmethyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: ethyl 4-butoxy-6,7-dichloro-2-(2-furylmethyl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-butoxy-6,7-dichloro-2-(2-furanylmethyl)-1-oxo-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butoxy-6,7-dichloro-2-(furan-2-ylmethyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-butoxy-6,7-dichloro-2-(2-furfuryl)-1-keto-isoquinoline-3-carboxylic acid ethyl ester Formula: C21H21Cl2NO5 MolecularWeight: 438.30114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC3=CC=CO3)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC3=CC=CO3)C(=O)OCC

InChI

InChI=1S/C21H21Cl2NO5/c1-3-5-8-29-19-14-10-16(22)17(23)11-15(14)20(25)24(12-13-7-6-9-28-13)18(19)21(26)27-4-2/h6-7,9-11H,3-5,8,12H2,1-2H3