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

Systemtic Name: (2-oxidanyl-1-phenyl-ethyl) 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: (2-hydroxy-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-hydroxy-1-phenylethyl) ester IUPAC Name: (2-hydroxy-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-hydroxy-1-phenyl-ethyl) ester Formula: C24H31BrN2O3 MolecularWeight: 475.41854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31BrN2O3/c1-2-27(20-11-7-4-8-12-20)15-19-13-18(14-21(25)23(19)26)24(29)30-22(16-28)17-9-5-3-6-10-17/h3,5-6,9-10,13-14,20,22,28H,2,4,7-8,11-12,15-16,26H2,1H3