2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[cyclopentyl(ethyl)amino]methyl]benzoate

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[cyclopentyl(ethyl)amino]methyl]benzoate Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-[[cyclopentyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cyclopentyl(ethyl)amino]methyl]benzoic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-[[cyclopentyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cyclopentyl(ethyl)amino]methyl]benzoic acid 2-acetoxyethyl ester Formula: C19H27BrN2O4 MolecularWeight: 427.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)OCCOC(=O)C)Br)N)C2CCCC2

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)OCCOC(=O)C)Br)N)C2CCCC2

InChI

InChI=1S/C19H27BrN2O4/c1-3-22(16-6-4-5-7-16)12-15-10-14(11-17(20)18(15)21)19(24)26-9-8-25-13(2)23/h10-11,16H,3-9,12,21H2,1-2H3