(2S)-2-[(2S,3R)-2-cyclohexyl-4-oxidanylidene-3-phenoxy-azetidin-1-yl]propanoic acid

Systemtic Name: (2S)-2-[(2S,3R)-2-cyclohexyl-4-oxidanylidene-3-phenoxy-azetidin-1-yl]propanoic acid Openeye Name: (2S)-2-[(2S,3R)-2-cyclohexyl-4-oxo-3-phenoxy-azetidin-1-yl]propanoic acid CAS Name: (2S)-2-[(2S,3R)-2-cyclohexyl-4-oxo-3-phenoxy-1-azetidinyl]propanoic acid IUPAC Name: (2S)-2-[(2S,3R)-2-cyclohexyl-4-oxo-3-phenoxyazetidin-1-yl]propanoic acid Traditional Name: (2S)-2-[(2S,3R)-2-cyclohexyl-4-keto-3-phenoxy-azetidin-1-yl]propionic acid Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(C(C1=O)OC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)O)N1[C@H]([C@H](C1=O)OC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C18H23NO4/c1-12(18(21)22)19-15(13-8-4-2-5-9-13)16(17(19)20)23-14-10-6-3-7-11-14/h3,6-7,10-13,15-16H,2,4-5,8-9H2,1H3,(H,21,22)/t12-,15-,16+/m0/s1