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

Systemtic Name: 4-butyl-5-methyl-3-[2-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)ethoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-butyl-3-[2-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]ethoxy]-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-butyl-3-[2-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]ethoxy]-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-butyl-3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-butyl-3-[2-[4-hydroxy-4-(2-pyridyl)piperidino]ethoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C1OCCN2CCC(CC2)(C3=CC=CC=N3)O)C(=O)O)C

Isomeric SMILES

CCCCC1=C(NC(=C1OCCN2CCC(CC2)(C3=CC=CC=N3)O)C(=O)O)C

InChI

InChI=1S/C22H31N3O4/c1-3-4-7-17-16(2)24-19(21(26)27)20(17)29-15-14-25-12-9-22(28,10-13-25)18-8-5-6-11-23-18/h5-6,8,11,24,28H,3-4,7,9-10,12-15H2,1-2H3,(H,26,27)