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

Systemtic Name: 2-[3-[[azanyl(piperidin-1-yl)methylidene]amino]-5-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-4-yl]ethanoic acid Openeye Name: 2-[3-[[amino(1-piperidyl)methylene]amino]-5-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-4-yl]acetic acid CAS Name: 2-[3-[[amino(1-piperidinyl)methylidene]amino]-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-4-isoxazolyl]acetic acid IUPAC Name: 2-[3-[[amino(piperidin-1-yl)methylidene]amino]-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-4-yl]acetic acid Traditional Name: 2-[3-[[amino(piperidino)methylene]amino]-5-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-4-yl]acetic acid Formula: C25H27FN4O3 MolecularWeight: 450.505283

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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)N=C(N)N4CCCCC4)CC(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=C(C(=NO3)N=C(N)N4CCCCC4)CC(=O)O

InChI

InChI=1S/C25H27FN4O3/c1-16(18-10-11-19(21(26)14-18)17-8-4-2-5-9-17)23-20(15-22(31)32)24(29-33-23)28-25(27)30-12-6-3-7-13-30/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,31,32)(H2,27,28,29)