(5-phenyl-1,2-oxazol-3-yl)methyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O5/c25-20-12-16-8-4-5-9-18(16)22(27)24(20)11-10-21(26)28-14-17-13-19(29-23-17)15-6-2-1-3-7-15/h1-9,13H,10-12,14H2