oxiran-2-ylmethyl 4-azanyl-3-bromanyl-2-[[cyclohexyl(ethyl)amino]methyl]benzoate

Systemtic Name: oxiran-2-ylmethyl 4-azanyl-3-bromanyl-2-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: oxiran-2-ylmethyl 4-amino-3-bromo-2-[[cyclohexyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-2-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-oxiranylmethyl ester IUPAC Name: oxiran-2-ylmethyl 4-amino-3-bromo-2-[[cyclohexyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-2-[[cyclohexyl(ethyl)amino]methyl]benzoic acid glycidyl ester Formula: C19H27BrN2O3 MolecularWeight: 411.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1Br)N)C(=O)OCC2CO2)C3CCCCC3

Isomeric SMILES

CCN(CC1=C(C=CC(=C1Br)N)C(=O)OCC2CO2)C3CCCCC3

InChI

InChI=1S/C19H27BrN2O3/c1-2-22(13-6-4-3-5-7-13)10-16-15(8-9-17(21)18(16)20)19(23)25-12-14-11-24-14/h8-9,13-14H,2-7,10-12,21H2,1H3