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

Systemtic Name: phenyl 2-[(4-iodanyl-2,6-dimethyl-phenyl)carbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: phenyl 4-hydroxy-2-[(4-iodo-2,6-dimethyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-[(4-iodo-2,6-dimethylanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-hydroxy-2-[(4-iodo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-[(4-iodo-2,6-dimethyl-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid phenyl ester Formula: C20H21IN2O4 MolecularWeight: 480.29621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2CC(CN2C(=O)OC3=CC=CC=C3)O)C)I

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2CC(CN2C(=O)OC3=CC=CC=C3)O)C)I

InChI

InChI=1S/C20H21IN2O4/c1-12-8-14(21)9-13(2)18(12)22-19(25)17-10-15(24)11-23(17)20(26)27-16-6-4-3-5-7-16/h3-9,15,17,24H,10-11H2,1-2H3,(H,22,25)