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

Systemtic Name: 2-[5-[[[azanyl(dimethylamino)methylidene]amino]methyl]-3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-4-yl]ethanoic acid Openeye Name: 2-[5-[[[amino(dimethylamino)methylene]amino]methyl]-3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-4-yl]acetic acid CAS Name: 2-[5-[[[amino(dimethylamino)methylidene]amino]methyl]-3-[1-(3-fluoro-4-phenylphenyl)ethyl]-4-isoxazolyl]acetic acid IUPAC Name: 2-[5-[[[amino(dimethylamino)methylidene]amino]methyl]-3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-4-yl]acetic acid Traditional Name: 2-[5-[[[amino(dimethylamino)methylene]amino]methyl]-3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-4-yl]acetic acid Formula: C23H25FN4O3 MolecularWeight: 424.468003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3CC(=O)O)CN=C(N)N(C)C

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3CC(=O)O)CN=C(N)N(C)C

InChI

InChI=1S/C23H25FN4O3/c1-14(16-9-10-17(19(24)11-16)15-7-5-4-6-8-15)22-18(12-21(29)30)20(31-27-22)13-26-23(25)28(2)3/h4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,30)