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

Systemtic Name: 2-(2-acetyloxyethylamino)ethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: 2-(2-acetoxyethylamino)ethyl 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-acetyloxyethylamino)ethyl ester IUPAC Name: 2-(2-acetyloxyethylamino)ethyl 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-acetoxyethylamino)ethyl ester Formula: C22H34BrN3O4 MolecularWeight: 484.42706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34BrN3O4/c1-3-26(19-7-5-4-6-8-19)15-18-13-17(14-20(23)21(18)24)22(28)30-12-10-25-9-11-29-16(2)27/h13-14,19,25H,3-12,15,24H2,1-2H3