ethyl 1-[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-chloranyl-phenyl]carbonylpiperidine-4-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: ethyl 1-[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-chloranyl-phenyl]carbonylpiperidine-4-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: ethyl 1-[3-chloro-5-(3-guanidinooxypropoxy)benzoyl]piperidine-4-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 1-[[3-chloro-5-[3-(diaminomethylideneamino)oxypropoxy]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: ethyl 1-[3-chloro-5-[3-(diaminomethylideneamino)oxypropoxy]benzoyl]piperidine-4-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 1-[3-chloro-5-(3-guanidinooxypropoxy)benzoyl]isonipecotic acid ethyl ester; 2,2,2-trifluoroacetic acid Formula: C21H28ClF3N4O7 MolecularWeight: 540.91783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC(=C2)Cl)OCCCON=C(N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC(=C2)Cl)OCCCON=C(N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H27ClN4O5.C2HF3O2/c1-2-27-18(26)13-4-6-24(7-5-13)17(25)14-10-15(20)12-16(11-14)28-8-3-9-29-23-19(21)22;3-2(4,5)1(6)7/h10-13H,2-9H2,1H3,(H4,21,22,23);(H,6,7)