[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [5-(4-fluorophenyl)oxazol-2-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [5-(4-fluorophenyl)-2-oxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [5-(4-fluorophenyl)oxazol-2-yl]methyl ester Formula: C20H13FN2O4 MolecularWeight: 364.326623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=NC=C(O3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=NC=C(O3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H13FN2O4/c21-14-7-5-12(6-8-14)17-10-22-18(27-17)11-26-20(25)16-9-13-3-1-2-4-15(13)19(24)23-16/h1-10H,11H2,(H,23,24)