2-[di(propan-2-yl)amino]ethyl 5-iodanyl-2-oxidanyl-3-phenyl-benzoate hydrochloride

Systemtic Name: 2-[di(propan-2-yl)amino]ethyl 5-iodanyl-2-oxidanyl-3-phenyl-benzoate hydrochloride Openeye Name: 2-(diisopropylamino)ethyl 2-hydroxy-5-iodo-3-phenyl-benzoate hydrochloride CAS Name: 2-hydroxy-5-iodo-3-phenylbenzoic acid 2-[di(propan-2-yl)amino]ethyl ester hydrochloride IUPAC Name: 2-[di(propan-2-yl)amino]ethyl 2-hydroxy-5-iodo-3-phenylbenzoate hydrochloride Traditional Name: 2-hydroxy-5-iodo-3-phenyl-benzoic acid 2-(diisopropylamino)ethyl ester hydrochloride Formula: C21H27ClINO3 MolecularWeight: 503.80145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCOC(=O)C1=C(C(=CC(=C1)I)C2=CC=CC=C2)O)C(C)C.Cl

Isomeric SMILES

CC(C)N(CCOC(=O)C1=C(C(=CC(=C1)I)C2=CC=CC=C2)O)C(C)C.Cl

InChI

InChI=1S/C21H26INO3.ClH/c1-14(2)23(15(3)4)10-11-26-21(25)19-13-17(22)12-18(20(19)24)16-8-6-5-7-9-16;/h5-9,12-15,24H,10-11H2,1-4H3;1H