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

Systemtic Name: (4-oxidanylcyclohexyl) 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: (4-hydroxycyclohexyl) 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid (4-hydroxycyclohexyl) ester IUPAC Name: (4-hydroxycyclohexyl) 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid (4-hydroxycyclohexyl) ester Formula: C22H33BrN2O3 MolecularWeight: 453.41302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)OC2CCC(CC2)O)Br)N)C3CCCCC3

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)OC2CCC(CC2)O)Br)N)C3CCCCC3

InChI

InChI=1S/C22H33BrN2O3/c1-2-25(17-6-4-3-5-7-17)14-16-12-15(13-20(23)21(16)24)22(27)28-19-10-8-18(26)9-11-19/h12-13,17-19,26H,2-11,14,24H2,1H3