4,5-dimethoxy-2-[[(3R)-5-oxidanidyl-5-oxidanylidene-3-phenyl-pentanoyl]amino]benzoate

Systemtic Name: 4,5-dimethoxy-2-[[(3R)-5-oxidanidyl-5-oxidanylidene-3-phenyl-pentanoyl]amino]benzoate Openeye Name: 4,5-dimethoxy-2-[[(3R)-5-oxido-5-oxo-3-phenyl-pentanoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[(3R)-5-oxido-1,5-dioxo-3-phenylpentyl]amino]benzoate IUPAC Name: 4,5-dimethoxy-2-[[(3R)-5-oxido-5-oxo-3-phenylpentanoyl]amino]benzoate Traditional Name: 2-[[(3R)-5-keto-5-oxido-3-phenyl-pentanoyl]amino]-4,5-dimethoxy-benzoate Formula: C20H19NO7-2 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)CC(CC(=O)[O-])C2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)C[C@H](CC(=O)[O-])C2=CC=CC=C2)OC

InChI

InChI=1S/C20H21NO7/c1-27-16-10-14(20(25)26)15(11-17(16)28-2)21-18(22)8-13(9-19(23)24)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)/p-2/t13-/m1/s1