2-[4-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-4-cyano-piperidin-1-yl]propanoic acid

Systemtic Name: 2-[4-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-4-cyano-piperidin-1-yl]propanoic acid Openeye Name: 2-[4-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-4-cyano-1-piperidyl]propanoic acid CAS Name: 2-[4-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-4-cyano-1-piperidinyl]propanoic acid IUPAC Name: 2-[4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-4-cyanopiperidin-1-yl]propanoic acid Traditional Name: 2-[4-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-4-cyano-piperidino]propionic acid Formula: C17H19ClFN3O3 MolecularWeight: 367.802463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(CC1)(C#N)NC(=O)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C(=O)O)N1CCC(CC1)(C#N)NC(=O)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H19ClFN3O3/c1-11(16(24)25)22-7-5-17(10-20,6-8-22)21-15(23)9-12-13(18)3-2-4-14(12)19/h2-4,11H,5-9H2,1H3,(H,21,23)(H,24,25)