tert-butyl (2S)-1-(4-aminocarbonyl-3-iodanyl-phenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-(4-aminocarbonyl-3-iodanyl-phenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-(4-carbamoyl-3-iodo-benzoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(4-carbamoyl-3-iodophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-(4-carbamoyl-3-iodobenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-carbamoyl-3-iodo-benzoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C17H21IN2O4 MolecularWeight: 444.26411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C2=CC(=C(C=C2)C(=O)N)I

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C2=CC(=C(C=C2)C(=O)N)I

InChI

InChI=1S/C17H21IN2O4/c1-17(2,3)24-16(23)13-5-4-8-20(13)15(22)10-6-7-11(14(19)21)12(18)9-10/h6-7,9,13H,4-5,8H2,1-3H3,(H2,19,21)/t13-/m0/s1