6-[(2R)-2-(3,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoic acid

Systemtic Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoic acid Openeye Name: 6-[(2R)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoic acid CAS Name: 6-[(2R)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoic acid IUPAC Name: 6-[(2R)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoic acid Traditional Name: 6-[(2R)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]hexanoic acid Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)OC)OC)CCCCCC(=O)O)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC(=C(C=C2)OC)OC)CCCCCC(=O)O)O

InChI

InChI=1S/C20H25NO7/c1-12(22)17-18(13-8-9-14(27-2)15(11-13)28-3)21(20(26)19(17)25)10-6-4-5-7-16(23)24/h8-9,11,18,25H,4-7,10H2,1-3H3,(H,23,24)/t18-/m1/s1