tert-butyl 4-[(4-chloranyl-2-iodanyl-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-chloranyl-2-iodanyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-chloro-2-iodo-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[(4-chloro-2-iodoanilino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-chloro-2-iodophenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(4-chloro-2-iodo-phenyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H22ClIN2O3 MolecularWeight: 464.72565

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Cl)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Cl)I

InChI

InChI=1S/C17H22ClIN2O3/c1-17(2,3)24-16(23)21-8-6-11(7-9-21)15(22)20-14-5-4-12(18)10-13(14)19/h4-5,10-11H,6-9H2,1-3H3,(H,20,22)