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

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C21H29FN2O4 MolecularWeight: 392.464363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3)F

InChI

InChI=1S/C21H29FN2O4/c1-16-5-6-17(13-18(16)22)20(26)28-14-19(25)23-15-21(7-3-2-4-8-21)24-9-11-27-12-10-24/h5-6,13H,2-4,7-12,14-15H2,1H3,(H,23,25)