2-[2-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)ethyl]propanedioic acid

Systemtic Name: 2-[2-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)ethyl]propanedioic acid Openeye Name: 2-[2-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)ethyl]propanedioic acid CAS Name: 2-[2-[4,5-dimethoxy-2-(1-pyrrolyl)phenyl]ethyl]propanedioic acid IUPAC Name: 2-[2-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)ethyl]propanedioic acid Traditional Name: 2-[2-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)ethyl]malonic acid Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCC(C(=O)O)C(=O)O)N2C=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCC(C(=O)O)C(=O)O)N2C=CC=C2)OC

InChI

InChI=1S/C17H19NO6/c1-23-14-9-11(5-6-12(16(19)20)17(21)22)13(10-15(14)24-2)18-7-3-4-8-18/h3-4,7-10,12H,5-6H2,1-2H3,(H,19,20)(H,21,22)