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

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 3-[4-(2-hydroxyethyl)piperazino]propyl ester Formula: C21H35BrN4O3 MolecularWeight: 471.4316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35BrN4O3/c1-3-24(4-2)16-18-14-17(15-19(22)20(18)23)21(28)29-13-5-6-25-7-9-26(10-8-25)11-12-27/h14-15,27H,3-13,16,23H2,1-2H3