3-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate

Systemtic Name: 3-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate Openeye Name: 3-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoate CAS Name: 3-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]propanoate IUPAC Name: 3-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoate Traditional Name: 3-[(4Z)-4-(3-ethoxy-4-propargyloxy-benzylidene)-1,3-diketo-2-isoquinolyl]propionate Formula: C24H20NO6- MolecularWeight: 418.4187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)[O-])OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)[O-])OCC#C

InChI

InChI=1S/C24H21NO6/c1-3-13-31-20-10-9-16(15-21(20)30-4-2)14-19-17-7-5-6-8-18(17)23(28)25(24(19)29)12-11-22(26)27/h1,5-10,14-15H,4,11-13H2,2H3,(H,26,27)/p-1/b19-14-