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

Systemtic Name: 4-butyl-3-[2-[4-(4-fluorophenyl)-4-oxidanyl-piperidin-1-yl]ethoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-butyl-3-[2-[4-(4-fluorophenyl)-4-hydroxy-1-piperidyl]ethoxy]-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-butyl-3-[2-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]ethoxy]-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-butyl-3-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-butyl-3-[2-[4-(4-fluorophenyl)-4-hydroxy-piperidino]ethoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C23H31FN2O4 MolecularWeight: 418.501643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN2O4/c1-3-4-5-19-16(2)25-20(22(27)28)21(19)30-15-14-26-12-10-23(29,11-13-26)17-6-8-18(24)9-7-17/h6-9,25,29H,3-5,10-15H2,1-2H3,(H,27,28)