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

Systemtic Name: 3-[(4Z)-1,3-bis(oxidanylidene)-4-[(4-propan-2-ylphenyl)methylidene]isoquinolin-2-yl]propanoate Openeye Name: 3-[(4Z)-4-[(4-isopropylphenyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoate CAS Name: 3-[(4Z)-1,3-dioxo-4-[(4-propan-2-ylphenyl)methylidene]-2-isoquinolinyl]propanoate IUPAC Name: 3-[(4Z)-1,3-dioxo-4-[(4-propan-2-ylphenyl)methylidene]isoquinolin-2-yl]propanoate Traditional Name: 3-[(4Z)-4-(4-isopropylbenzylidene)-1,3-diketo-2-isoquinolyl]propionate Formula: C22H20NO4- MolecularWeight: 362.3985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4/c1-14(2)16-9-7-15(8-10-16)13-19-17-5-3-4-6-18(17)21(26)23(22(19)27)12-11-20(24)25/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)/p-1/b19-13-