tert-butyl (2S)-2-[(4-iodanyl-2,5-dimethyl-phenoxy)methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(4-iodanyl-2,5-dimethyl-phenoxy)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(4-iodo-2,5-dimethyl-phenoxy)methyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(4-iodo-2,5-dimethylphenoxy)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(4-iodo-2,5-dimethylphenoxy)methyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(4-iodo-2,5-dimethyl-phenoxy)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H26INO3 MolecularWeight: 431.30841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1I)C)OCC2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1I)C)OC[C@@H]2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C18H26INO3/c1-12-10-16(13(2)9-15(12)19)22-11-14-7-6-8-20(14)17(21)23-18(3,4)5/h9-10,14H,6-8,11H2,1-5H3/t14-/m0/s1