3-[4-(azetidin-1-ylcarbonyl)phenoxy]-5-[(2S)-1-phenylmethoxypropan-2-yl]oxy-benzoic acid

Systemtic Name: 3-[4-(azetidin-1-ylcarbonyl)phenoxy]-5-[(2S)-1-phenylmethoxypropan-2-yl]oxy-benzoic acid Openeye Name: 3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(1S)-2-benzyloxy-1-methyl-ethoxy]benzoic acid CAS Name: 3-[4-[1-azetidinyl(oxo)methyl]phenoxy]-5-[(2S)-1-phenylmethoxypropan-2-yl]oxybenzoic acid IUPAC Name: 3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(2S)-1-phenylmethoxypropan-2-yl]oxybenzoic acid Traditional Name: 3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(1S)-2-benzoxy-1-methyl-ethoxy]benzoic acid Formula: C27H27NO6 MolecularWeight: 461.50638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)C(=O)N4CCC4)C(=O)O

Isomeric SMILES

C[C@@H](COCC1=CC=CC=C1)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)C(=O)N4CCC4)C(=O)O

InChI

InChI=1S/C27H27NO6/c1-19(17-32-18-20-6-3-2-4-7-20)33-24-14-22(27(30)31)15-25(16-24)34-23-10-8-21(9-11-23)26(29)28-12-5-13-28/h2-4,6-11,14-16,19H,5,12-13,17-18H2,1H3,(H,30,31)/t19-/m0/s1