ethyl 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-iodanyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-iodanyl-1H-indole-2-carboxylate Openeye Name: ethyl 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-iodo-1H-indole-2-carboxylate CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-iodo-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-iodo-1H-indole-2-carboxylate Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-iodo-1H-indole-2-carboxylic acid ethyl ester Formula: C18H25IN2O4 MolecularWeight: 460.30657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O)I

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O)I

InChI

InChI=1S/C18H25IN2O4/c1-5-24-17(23)16-15(19)14-12(21-16)7-6-8-13(14)25-10-11(22)9-20-18(2,3)4/h6-8,11,20-22H,5,9-10H2,1-4H3