4-[(2S,3S)-3-acetyloxy-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]benzoic acid

Systemtic Name: 4-[(2S,3S)-3-acetyloxy-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]benzoic acid Openeye Name: 4-[(2S,3S)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]benzoic acid CAS Name: 4-[(2S,3S)-3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl]benzoic acid IUPAC Name: 4-[(2S,3S)-3-acetyloxy-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzoic acid Traditional Name: 4-[(3S,4S)-3-acetoxy-2-keto-4-(4-methoxyphenyl)azetidin-1-yl]benzoic acid Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(N(C1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H17NO6/c1-11(21)26-17-16(12-5-9-15(25-2)10-6-12)20(18(17)22)14-7-3-13(4-8-14)19(23)24/h3-10,16-17H,1-2H3,(H,23,24)/t16-,17-/m0/s1