4-[[2-[[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]butanoic acid

Systemtic Name: 4-[[2-[[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]butanoic acid Openeye Name: 4-[[2-[[1-[(3,5-diethoxy-4-fluoro-phenyl)methyl]-4-piperidyl]amino]-1,3-benzoxazol-5-yl]oxy]butanoic acid CAS Name: 4-[[2-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]-4-piperidinyl]amino]-1,3-benzoxazol-5-yl]oxy]butanoic acid IUPAC Name: 4-[[2-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]butanoic acid Traditional Name: 4-[[2-[[1-(3,5-diethoxy-4-fluoro-benzyl)-4-piperidyl]amino]-1,3-benzoxazol-5-yl]oxy]butyric acid Formula: C27H34FN3O6 MolecularWeight: 515.573763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)NC3=NC4=C(O3)C=CC(=C4)OCCCC(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)NC3=NC4=C(O3)C=CC(=C4)OCCCC(=O)O

InChI

InChI=1S/C27H34FN3O6/c1-3-34-23-14-18(15-24(26(23)28)35-4-2)17-31-11-9-19(10-12-31)29-27-30-21-16-20(7-8-22(21)37-27)36-13-5-6-25(32)33/h7-8,14-16,19H,3-6,9-13,17H2,1-2H3,(H,29,30)(H,32,33)