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

Systemtic Name: 4-butyl-5-methyl-3-[3-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-butyl-3-[3-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-butyl-3-[3-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-butyl-3-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-butyl-3-[3-[4-hydroxy-4-(2-pyridyl)piperidino]propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C1OCCCN2CCC(CC2)(C3=CC=CC=N3)O)C(=O)O)C

Isomeric SMILES

CCCCC1=C(NC(=C1OCCCN2CCC(CC2)(C3=CC=CC=N3)O)C(=O)O)C

InChI

InChI=1S/C23H33N3O4/c1-3-4-8-18-17(2)25-20(22(27)28)21(18)30-16-7-13-26-14-10-23(29,11-15-26)19-9-5-6-12-24-19/h5-6,9,12,25,29H,3-4,7-8,10-11,13-16H2,1-2H3,(H,27,28)