methyl 3-azanyl-4-phenyl-butanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 3-azanyl-4-phenyl-butanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 3-amino-4-phenyl-butanoate; 2,2,2-trifluoroacetic acid CAS Name: 3-amino-4-phenylbutanoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 3-amino-4-phenylbutanoate; 2,2,2-trifluoroacetic acid Traditional Name: 3-amino-4-phenyl-butyric acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C13H16F3NO4 MolecularWeight: 307.26565

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=CC=C1)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC(=O)CC(CC1=CC=CC=C1)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C11H15NO2.C2HF3O2/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9;3-2(4,5)1(6)7/h2-6,10H,7-8,12H2,1H3;(H,6,7)