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

Systemtic Name: 4,5-dimethyl-3-[2-oxidanyl-3-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[2-hydroxy-3-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[2-hydroxy-3-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[2-hydroxy-3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[2-hydroxy-3-[4-hydroxy-4-(2-pyridyl)piperidino]propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1OCC(CN2CCC(CC2)(C3=CC=CC=N3)O)O)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=C1OCC(CN2CCC(CC2)(C3=CC=CC=N3)O)O)C(=O)O)C

InChI

InChI=1S/C20H27N3O5/c1-13-14(2)22-17(19(25)26)18(13)28-12-15(24)11-23-9-6-20(27,7-10-23)16-5-3-4-8-21-16/h3-5,8,15,22,24,27H,6-7,9-12H2,1-2H3,(H,25,26)