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

Systemtic Name: (2-chloranyl-2-phenyl-ethyl) 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: (2-chloro-2-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-chloro-2-phenylethyl) ester IUPAC Name: (2-chloro-2-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-chloro-2-phenyl-ethyl) ester Formula: C24H30BrClN2O2 MolecularWeight: 493.8642

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)OCC(C2=CC=CC=C2)Cl)Br)N)C3CCCCC3

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)OCC(C2=CC=CC=C2)Cl)Br)N)C3CCCCC3

InChI

InChI=1S/C24H30BrClN2O2/c1-2-28(20-11-7-4-8-12-20)15-19-13-18(14-21(25)23(19)27)24(29)30-16-22(26)17-9-5-3-6-10-17/h3,5-6,9-10,13-14,20,22H,2,4,7-8,11-12,15-16,27H2,1H3