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

Systemtic Name: 1-(3-azanyl-1-fluoranyl-4-oxidanylidene-4-phenyl-butyl)-4-(4-chlorophenyl)piperidine-4-carboxylic acid Openeye Name: 1-(3-amino-1-fluoro-4-oxo-4-phenyl-butyl)-4-(4-chlorophenyl)piperidine-4-carboxylic acid CAS Name: 1-(3-amino-1-fluoro-4-oxo-4-phenylbutyl)-4-(4-chlorophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(3-amino-1-fluoro-4-oxo-4-phenylbutyl)-4-(4-chlorophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(3-amino-1-fluoro-4-keto-4-phenyl-butyl)-4-(4-chlorophenyl)isonipecotic acid Formula: C22H24ClFN2O3 MolecularWeight: 418.888963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)C(=O)O)C(CC(C(=O)C3=CC=CC=C3)N)F

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)C(=O)O)C(CC(C(=O)C3=CC=CC=C3)N)F

InChI

InChI=1S/C22H24ClFN2O3/c23-17-8-6-16(7-9-17)22(21(28)29)10-12-26(13-11-22)19(24)14-18(25)20(27)15-4-2-1-3-5-15/h1-9,18-19H,10-14,25H2,(H,28,29)