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

Systemtic Name: (2-oxidanyl-1,2-diphenyl-ethyl) 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: (2-hydroxy-1,2-diphenyl-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-1,2-diphenylethyl) ester IUPAC Name: (2-hydroxy-1,2-diphenylethyl) 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-1,2-diphenyl-ethyl) ester Formula: C30H35BrN2O3 MolecularWeight: 551.5145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(C3=CC=CC=C3)O)Br)N)C4CCCCC4

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(C3=CC=CC=C3)O)Br)N)C4CCCCC4

InChI

InChI=1S/C30H35BrN2O3/c1-2-33(25-16-10-5-11-17-25)20-24-18-23(19-26(31)27(24)32)30(35)36-29(22-14-8-4-9-15-22)28(34)21-12-6-3-7-13-21/h3-4,6-9,12-15,18-19,25,28-29,34H,2,5,10-11,16-17,20,32H2,1H3