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

Systemtic Name: 4-butyl-3-[4-[4-(4-fluorophenyl)-4-oxidanyl-piperidin-1-yl]butoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-butyl-3-[4-[4-(4-fluorophenyl)-4-hydroxy-1-piperidyl]butoxy]-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-butyl-3-[4-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]butoxy]-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-butyl-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-butyl-3-[4-[4-(4-fluorophenyl)-4-hydroxy-piperidino]butoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C25H35FN2O4 MolecularWeight: 446.554803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C1OCCCCN2CCC(CC2)(C3=CC=C(C=C3)F)O)C(=O)O)C

Isomeric SMILES

CCCCC1=C(NC(=C1OCCCCN2CCC(CC2)(C3=CC=C(C=C3)F)O)C(=O)O)C

InChI

InChI=1S/C25H35FN2O4/c1-3-4-7-21-18(2)27-22(24(29)30)23(21)32-17-6-5-14-28-15-12-25(31,13-16-28)19-8-10-20(26)11-9-19/h8-11,27,31H,3-7,12-17H2,1-2H3,(H,29,30)