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

Systemtic Name: (2-acetyloxy-1,2-diphenyl-ethyl) 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: (2-acetoxy-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-acetyloxy-1,2-diphenylethyl) ester IUPAC Name: (2-acetyloxy-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-acetoxy-1,2-diphenyl-ethyl) ester Formula: C32H37BrN2O4 MolecularWeight: 593.55118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H37BrN2O4/c1-3-35(27-17-11-6-12-18-27)21-26-19-25(20-28(33)29(26)34)32(37)39-31(24-15-9-5-10-16-24)30(38-22(2)36)23-13-7-4-8-14-23/h4-5,7-10,13-16,19-20,27,30-31H,3,6,11-12,17-18,21,34H2,1-2H3