(2S,3R)-3-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-oxidanyl-4-oxidanylidene-4-propan-2-yloxy-butanoic acid

Systemtic Name: (2S,3R)-3-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-oxidanyl-4-oxidanylidene-4-propan-2-yloxy-butanoic acid Openeye Name: (2S,3R)-3-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-hydroxy-4-isopropoxy-4-oxo-butanoic acid CAS Name: (2S,3R)-2-hydroxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-oxo-4-propan-2-yloxybutanoic acid IUPAC Name: (2S,3R)-2-hydroxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-oxo-4-propan-2-yloxybutanoic acid Traditional Name: (2S,3R)-3-(4-benzoxy-3-methoxy-benzyl)-2-hydroxy-4-isopropoxy-4-keto-butyric acid Formula: C22H26O7 MolecularWeight: 402.43764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(C(=O)O)O

Isomeric SMILES

CC(C)OC(=O)[C@H](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)[C@@H](C(=O)O)O

InChI

InChI=1S/C22H26O7/c1-14(2)29-22(26)17(20(23)21(24)25)11-16-9-10-18(19(12-16)27-3)28-13-15-7-5-4-6-8-15/h4-10,12,14,17,20,23H,11,13H2,1-3H3,(H,24,25)/t17-,20+/m1/s1