[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC=C(C=C2)C#N)N3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC=C(C=C2)C#N)N3CCOCC3

InChI

InChI=1S/C21H27N3O4/c22-14-17-4-6-18(7-5-17)20(26)28-15-19(25)23-16-21(8-2-1-3-9-21)24-10-12-27-13-11-24/h4-7H,1-3,8-13,15-16H2,(H,23,25)