[cyano-(4-fluorophenyl)methyl]-(phenylmethyl)azanium; 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [cyano-(4-fluorophenyl)methyl]-(phenylmethyl)azanium; 2-oxidanyl-2-phenyl-ethanoate Openeye Name: benzyl-[cyano-(4-fluorophenyl)methyl]ammonium; 2-hydroxy-2-phenyl-acetate CAS Name: [cyano-(4-fluorophenyl)methyl]-(phenylmethyl)ammonium; 2-hydroxy-2-phenylacetate IUPAC Name: benzyl-[cyano-(4-fluorophenyl)methyl]azanium; 2-hydroxy-2-phenylacetate Traditional Name: benzyl-[cyano-(4-fluorophenyl)methyl]ammonium; 2-hydroxy-2-phenyl-acetate Formula: C23H21FN2O3 MolecularWeight: 392.422843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(C#N)C2=CC=C(C=C2)F.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]C(C#N)C2=CC=C(C=C2)F.C1=CC=C(C=C1)C(C(=O)[O-])O

InChI

InChI=1S/C15H13FN2.C8H8O3/c16-14-8-6-13(7-9-14)15(10-17)18-11-12-4-2-1-3-5-12;9-7(8(10)11)6-4-2-1-3-5-6/h1-9,15,18H,11H2;1-5,7,9H,(H,10,11)