3-fluoranylpropyl 1-phenethyl-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: 3-fluoranylpropyl 1-phenethyl-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: 3-fluoranylpropyl 1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-phenethyl-4-piperidinecarboxylic acid 3-fluoranylpropyl ester IUPAC Name: 3-fluoranylpropyl 1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-phenethyl-4-(N-propionylanilino)isonipecotic acid 3-fluoranylpropyl ester Formula: C26H33FN2O3 MolecularWeight: 439.552758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OCCCF

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OCCC[18F]

InChI

InChI=1S/C26H33FN2O3/c1-2-24(30)29(23-12-7-4-8-13-23)26(25(31)32-21-9-17-27)15-19-28(20-16-26)18-14-22-10-5-3-6-11-22/h3-8,10-13H,2,9,14-21H2,1H3/i27-1