3-[4-(2-acetyloxyethyl)piperazin-1-yl]propyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate

Systemtic Name: 3-[4-(2-acetyloxyethyl)piperazin-1-yl]propyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 3-[4-(2-acetoxyethyl)piperazin-1-yl]propyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 3-[4-(2-acetyloxyethyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(2-acetyloxyethyl)piperazin-1-yl]propyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 3-[4-(2-acetoxyethyl)piperazino]propyl ester Formula: C23H37BrN4O4 MolecularWeight: 513.46828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCCCN2CCN(CC2)CCOC(=O)C)Br)N

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCCCN2CCN(CC2)CCOC(=O)C)Br)N

InChI

InChI=1S/C23H37BrN4O4/c1-4-26(5-2)17-20-15-19(16-21(24)22(20)25)23(30)32-13-6-7-27-8-10-28(11-9-27)12-14-31-18(3)29/h15-16H,4-14,17,25H2,1-3H3