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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN(C)C2CCCCC2

Isomeric SMILES

CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN(C)C2CCCCC2

InChI

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