2-[4-[(2-chloranyl-6-fluoranyl-phenyl)-ethanoyl-amino]-4-methoxycarbonyl-piperidin-1-yl]propanoic acid

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)-ethanoyl-amino]-4-methoxycarbonyl-piperidin-1-yl]propanoic acid Openeye Name: 2-[4-(N-acetyl-2-chloro-6-fluoro-anilino)-4-methoxycarbonyl-1-piperidyl]propanoic acid CAS Name: 2-[4-(N-acetyl-2-chloro-6-fluoroanilino)-4-methoxycarbonyl-1-piperidinyl]propanoic acid IUPAC Name: 2-[4-(N-acetyl-2-chloro-6-fluoroanilino)-4-methoxycarbonylpiperidin-1-yl]propanoic acid Traditional Name: 2-[4-(N-acetyl-2-chloro-6-fluoro-anilino)-4-carbomethoxy-piperidino]propionic acid Formula: C18H22ClFN2O5 MolecularWeight: 400.829083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(CC1)(C(=O)OC)N(C2=C(C=CC=C2Cl)F)C(=O)C

Isomeric SMILES

CC(C(=O)O)N1CCC(CC1)(C(=O)OC)N(C2=C(C=CC=C2Cl)F)C(=O)C

InChI

InChI=1S/C18H22ClFN2O5/c1-11(16(24)25)21-9-7-18(8-10-21,17(26)27-3)22(12(2)23)15-13(19)5-4-6-14(15)20/h4-6,11H,7-10H2,1-3H3,(H,24,25)