2-[3-cyano-4-(3,5-dimethoxyphenyl)pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-cyano-4-(3,5-dimethoxyphenyl)pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-cyano-4-(3,5-dimethoxyphenyl)pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-(3,5-dimethoxyphenyl)-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-cyano-4-(3,5-dimethoxyphenyl)pyrrol-1-yl]acetic acid Traditional Name: 2-[3-cyano-4-(3,5-dimethoxyphenyl)pyrrol-1-yl]acetic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=CN(C=C2C#N)CC(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=CN(C=C2C#N)CC(=O)O)OC

InChI

InChI=1S/C15H14N2O4/c1-20-12-3-10(4-13(5-12)21-2)14-8-17(9-15(18)19)7-11(14)6-16/h3-5,7-8H,9H2,1-2H3,(H,18,19)