tert-butyl 2-butyl-3-iodanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 2-butyl-3-iodanyl-indole-1-carboxylate Openeye Name: tert-butyl 2-butyl-3-iodo-indole-1-carboxylate CAS Name: 2-butyl-3-iodo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-butyl-3-iodoindole-1-carboxylate Traditional Name: 2-butyl-3-iodo-indole-1-carboxylic acid tert-butyl ester Formula: C17H22INO2 MolecularWeight: 399.26655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)I

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)I

InChI

InChI=1S/C17H22INO2/c1-5-6-10-14-15(18)12-9-7-8-11-13(12)19(14)16(20)21-17(2,3)4/h7-9,11H,5-6,10H2,1-4H3