5-[3-acetyloxy-1-(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)propyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[3-acetyloxy-1-(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)propyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[3-acetoxy-1-(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)propyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-[3-acetyloxy-1-(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)propyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[3-acetyloxy-1-(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)propyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[3-acetoxy-1-(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)propyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)O)C(CCOC(=O)C)C2=C(C(=C(N2)C(=O)O)C)CC

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)O)C(CCOC(=O)C)C2=C(C(=C(N2)C(=O)O)C)CC

InChI

InChI=1S/C21H28N2O6/c1-6-13-10(3)16(20(25)26)22-18(13)15(8-9-29-12(5)24)19-14(7-2)11(4)17(23-19)21(27)28/h15,22-23H,6-9H2,1-5H3,(H,25,26)(H,27,28)