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

Systemtic Name: 3-[4-(azetidin-1-ylcarbonyl)phenoxy]-5-[(2S)-1-oxidanylpropan-2-yl]oxy-benzoic acid Openeye Name: 3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(1S)-2-hydroxy-1-methyl-ethoxy]benzoic acid CAS Name: 3-[4-[1-azetidinyl(oxo)methyl]phenoxy]-5-[(2S)-1-hydroxypropan-2-yl]oxybenzoic acid IUPAC Name: 3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(2S)-1-hydroxypropan-2-yl]oxybenzoic acid Traditional Name: 3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(1S)-2-hydroxy-1-methyl-ethoxy]benzoic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)N3CCC3)C(=O)O

Isomeric SMILES

C[C@@H](CO)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)N3CCC3)C(=O)O

InChI

InChI=1S/C20H21NO6/c1-13(12-22)26-17-9-15(20(24)25)10-18(11-17)27-16-5-3-14(4-6-16)19(23)21-7-2-8-21/h3-6,9-11,13,22H,2,7-8,12H2,1H3,(H,24,25)/t13-/m0/s1