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

Systemtic Name: 2-[5-[azanyl-(methylideneamino)-piperidin-1-yl-methyl]-3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-4-yl]ethanoic acid Openeye Name: 2-[5-[amino-(methyleneamino)-(1-piperidyl)methyl]-3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-4-yl]acetic acid CAS Name: 2-[5-[amino-(methyleneamino)-(1-piperidinyl)methyl]-3-[1-(3-fluoro-4-phenylphenyl)ethyl]-4-isoxazolyl]acetic acid IUPAC Name: 2-[5-[amino-(methylideneamino)-piperidin-1-ylmethyl]-3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-4-yl]acetic acid Traditional Name: 2-[5-[amino-(methyleneamino)-piperidino-methyl]-3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-4-yl]acetic acid Formula: C26H29FN4O3 MolecularWeight: 464.531863

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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)C(N)(N=C)N4CCCCC4

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3CC(=O)O)C(N)(N=C)N4CCCCC4

InChI

InChI=1S/C26H29FN4O3/c1-17(19-11-12-20(22(27)15-19)18-9-5-3-6-10-18)24-21(16-23(32)33)25(34-30-24)26(28,29-2)31-13-7-4-8-14-31/h3,5-6,9-12,15,17H,2,4,7-8,13-14,16,28H2,1H3,(H,32,33)