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

Systemtic Name: 5-[(E)-[azanyl(piperidin-1-yl)methylidene]amino]-3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazole-4-carboxylic acid Openeye Name: 5-[(E)-[amino(1-piperidyl)methylene]amino]-3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazole-4-carboxylic acid CAS Name: 5-[(E)-[amino(1-piperidinyl)methylidene]amino]-3-[1-(3-fluoro-4-phenylphenyl)ethyl]-4-isoxazolecarboxylic acid IUPAC Name: 5-[(E)-[amino(piperidin-1-yl)methylidene]amino]-3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazole-4-carboxylic acid Traditional Name: 5-[(E)-[amino(piperidino)methylene]amino]-3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazole-4-carboxylic acid Formula: C24H25FN4O3 MolecularWeight: 436.478703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3C(=O)O)N=C(N)N4CCCCC4

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3C(=O)O)/N=C(\N)/N4CCCCC4

InChI

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