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

Systemtic Name: 2-[[4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]phenyl]carbonylamino]ethyl ethanoate Openeye Name: 2-[[4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoyl]amino]ethyl acetate CAS Name: acetic acid 2-[[[4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]phenyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoyl]amino]ethyl acetate Traditional Name: acetic acid 2-[[4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoyl]amino]ethyl ester Formula: C20H30BrN3O3 MolecularWeight: 440.3745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)NCCOC(=O)C)Br)N)C2CCCCC2

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)NCCOC(=O)C)Br)N)C2CCCCC2

InChI

InChI=1S/C20H30BrN3O3/c1-3-24(17-7-5-4-6-8-17)13-16-11-15(12-18(21)19(16)22)20(26)23-9-10-27-14(2)25/h11-12,17H,3-10,13,22H2,1-2H3,(H,23,26)