4-[2-(3,4-dimethoxyphenyl)ethanoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethanoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)acetyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)acetyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-homoveratroyl-1H-pyrrole-2-carboxylic acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)C2=CNC(=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)C2=CNC(=C2)C(=O)O)OC

InChI

InChI=1S/C15H15NO5/c1-20-13-4-3-9(6-14(13)21-2)5-12(17)10-7-11(15(18)19)16-8-10/h3-4,6-8,16H,5H2,1-2H3,(H,18,19)