3-[azanyl-(methylideneamino)-piperidin-1-yl-methyl]-5-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-[azanyl-(methylideneamino)-piperidin-1-yl-methyl]-5-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[amino-(methyleneamino)-(1-piperidyl)methyl]-5-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazole-4-carboxylic acid CAS Name: 3-[amino-(methyleneamino)-(1-piperidinyl)methyl]-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[amino-(methylideneamino)-piperidin-1-ylmethyl]-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[amino-(methyleneamino)-piperidino-methyl]-5-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazole-4-carboxylic 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)C(N)(N=C)N4CCCCC4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN4O3/c1-16(18-11-12-19(20(26)15-18)17-9-5-3-6-10-17)22-21(24(31)32)23(29-33-22)25(27,28-2)30-13-7-4-8-14-30/h3,5-6,9-12,15-16H,2,4,7-8,13-14,27H2,1H3,(H,31,32)