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

Systemtic Name: methyl 3-[4-(azetidin-1-ylcarbonyl)phenoxy]-5-[(2S)-1-oxidanylpropan-2-yl]oxy-benzoate Openeye Name: methyl 3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(1S)-2-hydroxy-1-methyl-ethoxy]benzoate CAS Name: 3-[4-[1-azetidinyl(oxo)methyl]phenoxy]-5-[(2S)-1-hydroxypropan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(2S)-1-hydroxypropan-2-yl]oxybenzoate Traditional Name: 3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(1S)-2-hydroxy-1-methyl-ethoxy]benzoic acid methyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-14(13-23)27-18-10-16(21(25)26-2)11-19(12-18)28-17-6-4-15(5-7-17)20(24)22-8-3-9-22/h4-7,10-12,14,23H,3,8-9,13H2,1-2H3/t14-/m0/s1