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

Systemtic Name: 4-butyl-5-methyl-3-[2-oxidanyl-3-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-butyl-3-[2-hydroxy-3-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-butyl-3-[2-hydroxy-3-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-butyl-3-[2-hydroxy-3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-butyl-3-[2-hydroxy-3-[4-hydroxy-4-(2-pyridyl)piperidino]propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C23H33N3O5 MolecularWeight: 431.52522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C1OCC(CN2CCC(CC2)(C3=CC=CC=N3)O)O)C(=O)O)C

Isomeric SMILES

CCCCC1=C(NC(=C1OCC(CN2CCC(CC2)(C3=CC=CC=N3)O)O)C(=O)O)C

InChI

InChI=1S/C23H33N3O5/c1-3-4-7-18-16(2)25-20(22(28)29)21(18)31-15-17(27)14-26-12-9-23(30,10-13-26)19-8-5-6-11-24-19/h5-6,8,11,17,25,27,30H,3-4,7,9-10,12-15H2,1-2H3,(H,28,29)