4,5-dimethoxy-2-[[(3R)-5-oxidanyl-5-oxidanylidene-3-phenyl-pentanoyl]amino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[[(3R)-5-oxidanyl-5-oxidanylidene-3-phenyl-pentanoyl]amino]benzoic acid Openeye Name: 2-[[(3R)-5-hydroxy-5-oxo-3-phenyl-pentanoyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[(3R)-5-hydroxy-1,5-dioxo-3-phenylpentyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[(3R)-5-hydroxy-5-oxo-3-phenylpentanoyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[(3R)-5-hydroxy-5-keto-3-phenyl-pentanoyl]amino]-4,5-dimethoxy-benzoic acid Formula: C20H21NO7 MolecularWeight: 387.38324

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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)/t13-/m1/s1