tert-butyl 2-[(3-iodanylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(3-iodanylphenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(3-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[(3-iodoanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(3-iodophenyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H21IN2O3 MolecularWeight: 416.25401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C16H21IN2O3/c1-16(2,3)22-15(21)19-9-5-8-13(19)14(20)18-12-7-4-6-11(17)10-12/h4,6-7,10,13H,5,8-9H2,1-3H3,(H,18,20)