tert-butyl 4-[4-aminocarbonyl-3-[2-(5-cyano-2-iodanyl-phenoxy)ethyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-aminocarbonyl-3-[2-(5-cyano-2-iodanyl-phenoxy)ethyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-carbamoyl-3-[2-(5-cyano-2-iodo-phenoxy)ethyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-carbamoyl-3-[2-(5-cyano-2-iodophenoxy)ethyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-carbamoyl-3-[2-(5-cyano-2-iodophenoxy)ethyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-carbamoyl-3-[2-(5-cyano-2-iodo-phenoxy)ethyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H30IN3O5 MolecularWeight: 591.43797

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)C(=O)N)CCOC3=C(C=CC(=C3)C#N)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)C(=O)N)CCOC3=C(C=CC(=C3)C#N)I

InChI

InChI=1S/C26H30IN3O5/c1-26(2,3)35-25(32)30-11-8-19(9-12-30)34-20-5-6-21(24(29)31)18(15-20)10-13-33-23-14-17(16-28)4-7-22(23)27/h4-7,14-15,19H,8-13H2,1-3H3,(H2,29,31)