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

Systemtic Name: 2-acetyloxyethyl 2-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: 2-acetoxyethyl 2-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate CAS Name: 2-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 2-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Traditional Name: 2-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-acetoxyethyl ester Formula: C20H29BrN2O4 MolecularWeight: 441.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C(=C1)C(=O)OCCOC(=O)C)N)Br)C2CCCCC2

Isomeric SMILES

CCN(CC1=CC(=C(C(=C1)C(=O)OCCOC(=O)C)N)Br)C2CCCCC2

InChI

InChI=1S/C20H29BrN2O4/c1-3-23(16-7-5-4-6-8-16)13-15-11-17(19(22)18(21)12-15)20(25)27-10-9-26-14(2)24/h11-12,16H,3-10,13,22H2,1-2H3