3-azanylidene-2-(3-cyclopentyl-5-fluoranyl-4-oxidanyl-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid

Systemtic Name: 3-azanylidene-2-(3-cyclopentyl-5-fluoranyl-4-oxidanyl-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid Openeye Name: 2-(3-cyclopentyl-5-fluoro-4-hydroxy-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid CAS Name: 2-(3-cyclopentyl-5-fluoro-4-hydroxyphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid IUPAC Name: 2-(3-cyclopentyl-5-fluoro-4-hydroxyphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid Traditional Name: 2-(3-cyclopentyl-5-fluoro-4-hydroxy-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid Formula: C24H27FN2O5 MolecularWeight: 442.479983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C4CCCC4)O)F)[O-])C(=O)O)OCC

Isomeric SMILES

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C4CCCC4)O)F)[O-])C(=O)O)OCC

InChI

InChI=1S/C24H27FN2O5/c1-3-20-16-12-21(32-4-2)18(24(29)30)11-17(16)23(26)27(20,31)14-9-15(13-7-5-6-8-13)22(28)19(25)10-14/h9-13,20,26,28H,3-8H2,1-2H3,(H,29,30)