(2-acetyloxy-1-phenyl-ethyl) 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate

Systemtic Name: (2-acetyloxy-1-phenyl-ethyl) 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: (2-acetoxy-1-phenyl-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-acetyloxy-1-phenylethyl) ester IUPAC Name: (2-acetyloxy-1-phenylethyl) 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid (2-acetoxy-1-phenyl-ethyl) ester Formula: C26H33BrN2O4 MolecularWeight: 517.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)OC(COC(=O)C)C2=CC=CC=C2)Br)N)C3CCCCC3

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)OC(COC(=O)C)C2=CC=CC=C2)Br)N)C3CCCCC3

InChI

InChI=1S/C26H33BrN2O4/c1-3-29(22-12-8-5-9-13-22)16-21-14-20(15-23(27)25(21)28)26(31)33-24(17-32-18(2)30)19-10-6-4-7-11-19/h4,6-7,10-11,14-15,22,24H,3,5,8-9,12-13,16-17,28H2,1-2H3