2-acetyloxyethyl 4-azanyl-3-[1-azanyl-3-(diethylamino)propyl]-5-bromanyl-benzoate

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-[1-azanyl-3-(diethylamino)propyl]-5-bromanyl-benzoate Openeye Name: 2-acetoxyethyl 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromo-benzoate CAS Name: 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromobenzoic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromobenzoate Traditional Name: 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromo-benzoic acid 2-acetoxyethyl ester Formula: C18H28BrN3O4 MolecularWeight: 430.33662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C1=C(C(=CC(=C1)C(=O)OCCOC(=O)C)Br)N)N

Isomeric SMILES

CCN(CC)CCC(C1=C(C(=CC(=C1)C(=O)OCCOC(=O)C)Br)N)N

InChI

InChI=1S/C18H28BrN3O4/c1-4-22(5-2)7-6-16(20)14-10-13(11-15(19)17(14)21)18(24)26-9-8-25-12(3)23/h10-11,16H,4-9,20-21H2,1-3H3