1-(3-azanyl-1-fluoranyl-4-oxidanylidene-4-phenyl-butyl)-4-piperidin-1-yl-piperidine-4-carboxylic acid

Systemtic Name: 1-(3-azanyl-1-fluoranyl-4-oxidanylidene-4-phenyl-butyl)-4-piperidin-1-yl-piperidine-4-carboxylic acid Openeye Name: 1-(3-amino-1-fluoro-4-oxo-4-phenyl-butyl)-4-(1-piperidyl)piperidine-4-carboxylic acid CAS Name: 1-(3-amino-1-fluoro-4-oxo-4-phenylbutyl)-4-(1-piperidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(3-amino-1-fluoro-4-oxo-4-phenylbutyl)-4-piperidin-1-ylpiperidine-4-carboxylic acid Traditional Name: 1-(3-amino-1-fluoro-4-keto-4-phenyl-butyl)-4-piperidino-isonipecotic acid Formula: C21H30FN3O3 MolecularWeight: 391.479603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCN(CC2)C(CC(C(=O)C3=CC=CC=C3)N)F)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2(CCN(CC2)C(CC(C(=O)C3=CC=CC=C3)N)F)C(=O)O

InChI

InChI=1S/C21H30FN3O3/c22-18(15-17(23)19(26)16-7-3-1-4-8-16)24-13-9-21(10-14-24,20(27)28)25-11-5-2-6-12-25/h1,3-4,7-8,17-18H,2,5-6,9-15,23H2,(H,27,28)