tert-butyl 3-[2-[bis(phenylmethyl)amino]ethyl]-2-iodanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[bis(phenylmethyl)amino]ethyl]-2-iodanyl-indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(dibenzylamino)ethyl]-2-iodo-indole-1-carboxylate CAS Name: 3-[2-[bis(phenylmethyl)amino]ethyl]-2-iodo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(dibenzylamino)ethyl]-2-iodoindole-1-carboxylate Traditional Name: 3-[2-(dibenzylamino)ethyl]-2-iodo-indole-1-carboxylic acid tert-butyl ester Formula: C29H31IN2O2 MolecularWeight: 566.47311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1I)CCN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1I)CCN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H31IN2O2/c1-29(2,3)34-28(33)32-26-17-11-10-16-24(26)25(27(32)30)18-19-31(20-22-12-6-4-7-13-22)21-23-14-8-5-9-15-23/h4-17H,18-21H2,1-3H3