2-[1-tert-butyl-5-fluoranyl-4-(oxaldehydoylamino)pyrrol-3-yl]hexanedioic acid

Systemtic Name: 2-[1-tert-butyl-5-fluoranyl-4-(oxaldehydoylamino)pyrrol-3-yl]hexanedioic acid Openeye Name: 2-[1-tert-butyl-5-fluoro-4-(oxaldehydoylamino)pyrrol-3-yl]hexanedioic acid CAS Name: 2-[1-tert-butyl-5-fluoro-4-(oxaldehydoylamino)-3-pyrrolyl]hexanedioic acid IUPAC Name: 2-[1-tert-butyl-5-fluoro-4-(oxaldehydoylamino)pyrrol-3-yl]hexanedioic acid Traditional Name: 2-[1-tert-butyl-5-fluoro-4-(glyoxyloylamino)pyrrol-3-yl]adipic acid Formula: C16H21FN2O6 MolecularWeight: 356.346143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=C1F)NC(=O)C=O)C(CCCC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=C1F)NC(=O)C=O)C(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C16H21FN2O6/c1-16(2,3)19-7-10(13(14(19)17)18-11(21)8-20)9(15(24)25)5-4-6-12(22)23/h7-9H,4-6H2,1-3H3,(H,18,21)(H,22,23)(H,24,25)