3-(dibutylamino)propyl 4-fluoranyl-3-iodanyl-benzoate hydrochloride

Systemtic Name: 3-(dibutylamino)propyl 4-fluoranyl-3-iodanyl-benzoate hydrochloride Openeye Name: 3-(dibutylamino)propyl 4-fluoro-3-iodo-benzoate hydrochloride CAS Name: 4-fluoro-3-iodobenzoic acid 3-(dibutylamino)propyl ester hydrochloride IUPAC Name: 3-(dibutylamino)propyl 4-fluoro-3-iodobenzoate hydrochloride Traditional Name: 4-fluoro-3-iodo-benzoic acid 3-(dibutylamino)propyl ester hydrochloride Formula: C18H28ClFINO2 MolecularWeight: 471.776293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC(=O)C1=CC(=C(C=C1)F)I.Cl

Isomeric SMILES

CCCCN(CCCC)CCCOC(=O)C1=CC(=C(C=C1)F)I.Cl

InChI

InChI=1S/C18H27FINO2.ClH/c1-3-5-10-21(11-6-4-2)12-7-13-23-18(22)15-8-9-16(19)17(20)14-15;/h8-9,14H,3-7,10-13H2,1-2H3;1H