tert-butyl 2-iodanyl-3-(phenylmethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 2-iodanyl-3-(phenylmethyl)indole-1-carboxylate Openeye Name: tert-butyl 3-benzyl-2-iodo-indole-1-carboxylate CAS Name: 2-iodo-3-(phenylmethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-2-iodoindole-1-carboxylate Traditional Name: 3-benzyl-2-iodo-indole-1-carboxylic acid tert-butyl ester Formula: C20H20INO2 MolecularWeight: 433.28277

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1I)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1I)CC3=CC=CC=C3

InChI

InChI=1S/C20H20INO2/c1-20(2,3)24-19(23)22-17-12-8-7-11-15(17)16(18(22)21)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3