5-fluoranyl-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]isochromen-1-one

Systemtic Name: 5-fluoranyl-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]isochromen-1-one Openeye Name: 5-fluoro-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]isochromen-1-one CAS Name: 5-fluoro-3-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]ethyl]-2-benzopyran-1-one IUPAC Name: 5-fluoro-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]isochromen-1-one Traditional Name: 5-fluoro-3-[2-(2-methylolpyrrolidino)ethyl]isocoumarin Formula: C16H18FNO3 MolecularWeight: 291.317423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCC2=CC3=C(C=CC=C3F)C(=O)O2)CO

Isomeric SMILES

C1CC(N(C1)CCC2=CC3=C(C=CC=C3F)C(=O)O2)CO

InChI

InChI=1S/C16H18FNO3/c17-15-5-1-4-13-14(15)9-12(21-16(13)20)6-8-18-7-2-3-11(18)10-19/h1,4-5,9,11,19H,2-3,6-8,10H2