ethyl 6,7-dimethoxy-1-[3-(2-oxidanylidenepropoxy)phenyl]carbonyl-isoquinoline-4-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-1-[3-(2-oxidanylidenepropoxy)phenyl]carbonyl-isoquinoline-4-carboxylate Openeye Name: ethyl 1-(3-acetonyloxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylate CAS Name: 6,7-dimethoxy-1-[oxo-[3-(2-oxopropoxy)phenyl]methyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-[3-(2-oxopropoxy)benzoyl]isoquinoline-4-carboxylate Traditional Name: 1-(3-acetonyloxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C24H23NO7 MolecularWeight: 437.44192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OCC(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OCC(=O)C

InChI

InChI=1S/C24H23NO7/c1-5-31-24(28)19-12-25-22(18-11-21(30-4)20(29-3)10-17(18)19)23(27)15-7-6-8-16(9-15)32-13-14(2)26/h6-12H,5,13H2,1-4H3