2-fluoranyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propylamino]benzoic acid

Systemtic Name: 2-fluoranyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propylamino]benzoic acid Openeye Name: 4-[3-(1-tert-butoxycarbonyl-4-piperidyl)propylamino]-2-fluoro-benzoic acid CAS Name: 2-fluoro-4-[3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]propylamino]benzoic acid IUPAC Name: 2-fluoro-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propylamino]benzoic acid Traditional Name: 4-[3-(1-tert-butoxycarbonyl-4-piperidyl)propylamino]-2-fluoro-benzoic acid Formula: C20H29FN2O4 MolecularWeight: 380.453663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCNC2=CC(=C(C=C2)C(=O)O)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCNC2=CC(=C(C=C2)C(=O)O)F

InChI

InChI=1S/C20H29FN2O4/c1-20(2,3)27-19(26)23-11-8-14(9-12-23)5-4-10-22-15-6-7-16(18(24)25)17(21)13-15/h6-7,13-14,22H,4-5,8-12H2,1-3H3,(H,24,25)