[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C21H29FN2O5 MolecularWeight: 408.463763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3)F

InChI

InChI=1S/C21H29FN2O5/c1-27-18-6-5-16(13-17(18)22)20(26)29-14-19(25)23-15-21(7-3-2-4-8-21)24-9-11-28-12-10-24/h5-6,13H,2-4,7-12,14-15H2,1H3,(H,23,25)