3-[[[azanyl(dimethylamino)methylidene]amino]methyl]-5-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-[[[azanyl(dimethylamino)methylidene]amino]methyl]-5-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[[[amino(dimethylamino)methylene]amino]methyl]-5-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazole-4-carboxylic acid CAS Name: 3-[[[amino(dimethylamino)methylidene]amino]methyl]-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[[[amino(dimethylamino)methylidene]amino]methyl]-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[[[amino(dimethylamino)methylene]amino]methyl]-5-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazole-4-carboxylic acid Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=C(C(=NO3)CN=C(N)N(C)C)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=C(C(=NO3)CN=C(N)N(C)C)C(=O)O

InChI

InChI=1S/C22H23FN4O3/c1-13(15-9-10-16(17(23)11-15)14-7-5-4-6-8-14)20-19(21(28)29)18(26-30-20)12-25-22(24)27(2)3/h4-11,13H,12H2,1-3H3,(H2,24,25)(H,28,29)