4-ethyl-5-methyl-3-[2-oxidanyl-3-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-ethyl-5-methyl-3-[2-oxidanyl-3-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-ethyl-3-[2-hydroxy-3-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-ethyl-3-[2-hydroxy-3-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-ethyl-3-[2-hydroxy-3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-ethyl-3-[2-hydroxy-3-[4-hydroxy-4-(2-pyridyl)piperidino]propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1OCC(CN2CCC(CC2)(C3=CC=CC=N3)O)O)C(=O)O)C

Isomeric SMILES

CCC1=C(NC(=C1OCC(CN2CCC(CC2)(C3=CC=CC=N3)O)O)C(=O)O)C

InChI

InChI=1S/C21H29N3O5/c1-3-16-14(2)23-18(20(26)27)19(16)29-13-15(25)12-24-10-7-21(28,8-11-24)17-6-4-5-9-22-17/h4-6,9,15,23,25,28H,3,7-8,10-13H2,1-2H3,(H,26,27)