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

Systemtic Name: 3-[(4Z)-1,3-bis(oxidanylidene)-4-[(4-propoxyphenyl)methylidene]isoquinolin-2-yl]propanoate Openeye Name: 3-[(4Z)-1,3-dioxo-4-[(4-propoxyphenyl)methylene]-2-isoquinolyl]propanoate CAS Name: 3-[(4Z)-1,3-dioxo-4-[(4-propoxyphenyl)methylidene]-2-isoquinolinyl]propanoate IUPAC Name: 3-[(4Z)-1,3-dioxo-4-[(4-propoxyphenyl)methylidene]isoquinolin-2-yl]propanoate Traditional Name: 3-[(4Z)-1,3-diketo-4-(4-propoxybenzylidene)-2-isoquinolyl]propionate Formula: C22H20NO5- MolecularWeight: 378.3979

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)[O-]

InChI

InChI=1S/C22H21NO5/c1-2-13-28-16-9-7-15(8-10-16)14-19-17-5-3-4-6-18(17)21(26)23(22(19)27)12-11-20(24)25/h3-10,14H,2,11-13H2,1H3,(H,24,25)/p-1/b19-14-