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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H18FNO5 MolecularWeight: 371.359023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O)F

InChI

InChI=1S/C20H18FNO5/c1-26-17-7-6-13(10-16(17)21)12-27-19(24)8-9-22-18(23)11-14-4-2-3-5-15(14)20(22)25/h2-7,10H,8-9,11-12H2,1H3