1-[(E)-N'-[3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-5-yl]carbamimidoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-N'-[3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-5-yl]carbamimidoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-N'-[3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-5-yl]carbamimidoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-amino-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-5-isoxazolyl]imino]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]carbamimidoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-N'-[3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-5-yl]amidino]isonipecotic acid Formula: C24H25FN4O3 MolecularWeight: 436.478703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)N=C(N)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)/N=C(\N)/N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H25FN4O3/c1-15(18-7-8-19(20(25)13-18)16-5-3-2-4-6-16)21-14-22(32-28-21)27-24(26)29-11-9-17(10-12-29)23(30)31/h2-8,13-15,17H,9-12H2,1H3,(H2,26,27)(H,30,31)