3-[(4Z)-4-[(3-butoxy-4-methoxy-phenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate

Systemtic Name: 3-[(4Z)-4-[(3-butoxy-4-methoxy-phenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate Openeye Name: 3-[(4Z)-4-[(3-butoxy-4-methoxy-phenyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoate CAS Name: 3-[(4Z)-4-[(3-butoxy-4-methoxyphenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]propanoate IUPAC Name: 3-[(4Z)-4-[(3-butoxy-4-methoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoate Traditional Name: 3-[(4Z)-4-(3-butoxy-4-methoxy-benzylidene)-1,3-diketo-2-isoquinolyl]propionate Formula: C24H24NO6- MolecularWeight: 422.45046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)[O-])OC

InChI

InChI=1S/C24H25NO6/c1-3-4-13-31-21-15-16(9-10-20(21)30-2)14-19-17-7-5-6-8-18(17)23(28)25(24(19)29)12-11-22(26)27/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,27)/p-1/b19-14-