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

Systemtic Name: 3-[(4Z)-4-[(4-butoxyphenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate Openeye Name: 3-[(4Z)-4-[(4-butoxyphenyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoate CAS Name: 3-[(4Z)-4-[(4-butoxyphenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]propanoate IUPAC Name: 3-[(4Z)-4-[(4-butoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoate Traditional Name: 3-[(4Z)-4-(4-butoxybenzylidene)-1,3-diketo-2-isoquinolyl]propionate Formula: C23H22NO5- MolecularWeight: 392.42448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5/c1-2-3-14-29-17-10-8-16(9-11-17)15-20-18-6-4-5-7-19(18)22(27)24(23(20)28)13-12-21(25)26/h4-11,15H,2-3,12-14H2,1H3,(H,25,26)/p-1/b20-15-