methyl 4-fluoranyl-3-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]benzoate Openeye Name: methyl 4-fluoro-3-[3-(1-methylene-3-oxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 4-fluoro-3-[[3-(1-methylene-3-oxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 4-fluoro-3-[3-(1-keto-3-methylene-isoindolin-2-yl)propanoylamino]benzoic acid methyl ester Formula: C20H17FN2O4 MolecularWeight: 368.358383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H17FN2O4/c1-12-14-5-3-4-6-15(14)19(25)23(12)10-9-18(24)22-17-11-13(20(26)27-2)7-8-16(17)21/h3-8,11H,1,9-10H2,2H3,(H,22,24)