ethyl 3-[[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-chloranyl-phenyl]-(2-phenylethanoyl)amino]propanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: ethyl 3-[[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-chloranyl-phenyl]-(2-phenylethanoyl)amino]propanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: ethyl 3-[3-chloro-5-(3-guanidinooxypropoxy)-N-(2-phenylacetyl)anilino]propanoate; 2,2,2-trifluoroacetic acid CAS Name: 3-[3-chloro-5-[3-(diaminomethylideneamino)oxypropoxy]-N-(1-oxo-2-phenylethyl)anilino]propanoic acid ethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: ethyl 3-[3-chloro-5-[3-(diaminomethylideneamino)oxypropoxy]-N-(2-phenylacetyl)anilino]propanoate; 2,2,2-trifluoroacetic acid Traditional Name: 3-[3-chloro-5-(3-guanidinooxypropoxy)-N-(2-phenylacetyl)anilino]propionic acid ethyl ester; 2,2,2-trifluoroacetic acid Formula: C25H30ClF3N4O7 MolecularWeight: 590.97651

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC(=CC(=C1)Cl)OCCCON=C(N)N)C(=O)CC2=CC=CC=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)CCN(C1=CC(=CC(=C1)Cl)OCCCON=C(N)N)C(=O)CC2=CC=CC=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C23H29ClN4O5.C2HF3O2/c1-2-31-22(30)9-10-28(21(29)13-17-7-4-3-5-8-17)19-14-18(24)15-20(16-19)32-11-6-12-33-27-23(25)26;3-2(4,5)1(6)7/h3-5,7-8,14-16H,2,6,9-13H2,1H3,(H4,25,26,27);(H,6,7)