(3R)-3-phenyl-3-[(2R,3R)-2-(2-phenylethynyl)oxan-3-yl]propanoic acid

Systemtic Name: (3R)-3-phenyl-3-[(2R,3R)-2-(2-phenylethynyl)oxan-3-yl]propanoic acid Openeye Name: (3R)-3-phenyl-3-[(2R,3R)-2-(2-phenylethynyl)tetrahydropyran-3-yl]propanoic acid CAS Name: (3R)-3-phenyl-3-[(2R,3R)-2-(2-phenylethynyl)-3-oxanyl]propanoic acid IUPAC Name: (3R)-3-phenyl-3-[(2R,3R)-2-(2-phenylethynyl)oxan-3-yl]propanoic acid Traditional Name: (3R)-3-phenyl-3-[(2R,3R)-2-(2-phenylethynyl)tetrahydropyran-3-yl]propionic acid Formula: C22H22O3 MolecularWeight: 334.40828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(OC1)C#CC2=CC=CC=C2)C(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H]([C@@H](OC1)C#CC2=CC=CC=C2)[C@@H](CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H22O3/c23-22(24)16-20(18-10-5-2-6-11-18)19-12-7-15-25-21(19)14-13-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12,15-16H2,(H,23,24)/t19-,20+,21+/m1/s1