2-(2-acetyloxyphenyl)carbonyloxyethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate

Systemtic Name: 2-(2-acetyloxyphenyl)carbonyloxyethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: 2-(2-acetoxybenzoyl)oxyethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-[(2-acetyloxyphenyl)-oxomethoxy]ethyl ester IUPAC Name: 2-(2-acetyloxybenzoyl)oxyethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-(2-acetoxybenzoyl)oxyethyl ester Formula: C27H33BrN2O6 MolecularWeight: 561.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)OCCOC(=O)C2=CC=CC=C2OC(=O)C)Br)N)C3CCCCC3

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)OCCOC(=O)C2=CC=CC=C2OC(=O)C)Br)N)C3CCCCC3

InChI

InChI=1S/C27H33BrN2O6/c1-3-30(21-9-5-4-6-10-21)17-20-15-19(16-23(28)25(20)29)26(32)34-13-14-35-27(33)22-11-7-8-12-24(22)36-18(2)31/h7-8,11-12,15-16,21H,3-6,9-10,13-14,17,29H2,1-2H3