tert-butyl 2-[(4-iodanyl-2,6-dimethyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-iodanyl-2,6-dimethyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(4-iodo-2,6-dimethyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[(4-iodo-2,6-dimethylanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-iodo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(4-iodo-2,6-dimethyl-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H25IN2O3 MolecularWeight: 444.30717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)OC(C)(C)C)C)I

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)OC(C)(C)C)C)I

InChI

InChI=1S/C18H25IN2O3/c1-11-9-13(19)10-12(2)15(11)20-16(22)14-7-6-8-21(14)17(23)24-18(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,20,22)