2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-ethyl-2-(4-fluoranyl-2-methyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-ethyl-2-(4-fluoranyl-2-methyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-ethyl-2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-ethyl-2-(4-fluoro-2-methylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-ethyl-2-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid Traditional Name: 3-ethyl-2-(4-fluoro-2-methyl-phenyl)-2-phthalimido-piperazine-1-carboxylic acid Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(CCN1)C(=O)O)(C2=C(C=C(C=C2)F)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1C(N(CCN1)C(=O)O)(C2=C(C=C(C=C2)F)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22FN3O4/c1-3-18-22(25(21(29)30)11-10-24-18,17-9-8-14(23)12-13(17)2)26-19(27)15-6-4-5-7-16(15)20(26)28/h4-9,12,18,24H,3,10-11H2,1-2H3,(H,29,30)