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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]butanoic acid Openeye Name: 4-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]butanoic acid CAS Name: 4-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]butanoic acid IUPAC Name: 4-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]butanoic acid Traditional Name: 4-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]butyric acid Formula: C18H21NO7 MolecularWeight: 363.36184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO7/c1-10(20)15-16(11-6-7-12(25-2)13(9-11)26-3)19(18(24)17(15)23)8-4-5-14(21)22/h6-7,9,16,23H,4-5,8H2,1-3H3,(H,21,22)