benzotriazol-1-ylmethyl (3R)-3-phenyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate

Systemtic Name: benzotriazol-1-ylmethyl (3R)-3-phenyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Openeye Name: benzotriazol-1-ylmethyl (3R)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate CAS Name: (3R)-3-phenyl-3-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid 1-benzotriazolylmethyl ester IUPAC Name: benzotriazol-1-ylmethyl (3R)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate Traditional Name: (3R)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propionic acid benzotriazol-1-ylmethyl ester Formula: C18H15F3N4O3 MolecularWeight: 392.33191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCN2C3=CC=CC=C3N=N2)NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CC(=O)OCN2C3=CC=CC=C3N=N2)NC(=O)C(F)(F)F

InChI

InChI=1S/C18H15F3N4O3/c19-18(20,21)17(27)22-14(12-6-2-1-3-7-12)10-16(26)28-11-25-15-9-5-4-8-13(15)23-24-25/h1-9,14H,10-11H2,(H,22,27)/t14-/m1/s1