[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 2-[(3-bromobenzoyl)amino]acetate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]acetic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate Traditional Name: 2-[(3-bromobenzoyl)amino]acetic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C22H30BrN3O5 MolecularWeight: 496.3947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)Br)N3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)Br)N3CCOCC3

InChI

InChI=1S/C22H30BrN3O5/c23-18-6-4-5-17(13-18)21(29)24-14-20(28)31-15-19(27)25-16-22(7-2-1-3-8-22)26-9-11-30-12-10-26/h4-6,13H,1-3,7-12,14-16H2,(H,24,29)(H,25,27)