O4-tert-butyl O2-methyl (2S,4S,5S)-5-(2-fluoranyl-5-methoxy-phenyl)pyrrolidin-1-ium-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-methyl (2S,4S,5S)-5-(2-fluoranyl-5-methoxy-phenyl)pyrrolidin-1-ium-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-methyl (2S,4S,5S)-5-(2-fluoro-5-methoxy-phenyl)pyrrolidin-1-ium-2,4-dicarboxylate CAS Name: (2S,4S,5S)-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-1-ium-2,4-dicarboxylic acid O4-tert-butyl ester O2-methyl ester IUPAC Name: 4-O-tert-butyl 2-O-methyl (2S,4S,5S)-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-1-ium-2,4-dicarboxylate Traditional Name: (2S,4S,5S)-5-(2-fluoro-5-methoxy-phenyl)pyrrolidin-1-ium-2,4-dicarboxylic acid O4-tert-butyl ester O2-methyl ester Formula: C18H25FNO5+ MolecularWeight: 354.393203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC([NH2+]C1C2=C(C=CC(=C2)OC)F)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+][C@@H]1C2=C(C=CC(=C2)OC)F)C(=O)OC

InChI

InChI=1S/C18H24FNO5/c1-18(2,3)25-16(21)12-9-14(17(22)24-5)20-15(12)11-8-10(23-4)6-7-13(11)19/h6-8,12,14-15,20H,9H2,1-5H3/p+1/t12-,14-,15+/m0/s1