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

Systemtic Name: 3-[4-[4-(4-fluorophenyl)-4-oxidanyl-piperidin-1-yl]butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[4-[4-(4-fluorophenyl)-4-hydroxy-1-piperidyl]butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[4-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[4-[4-(4-fluorophenyl)-4-hydroxy-piperidino]butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C22H29FN2O4 MolecularWeight: 404.475063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1OCCCCN2CCC(CC2)(C3=CC=C(C=C3)F)O)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=C1OCCCCN2CCC(CC2)(C3=CC=C(C=C3)F)O)C(=O)O)C

InChI

InChI=1S/C22H29FN2O4/c1-15-16(2)24-19(21(26)27)20(15)29-14-4-3-11-25-12-9-22(28,10-13-25)17-5-7-18(23)8-6-17/h5-8,24,28H,3-4,9-14H2,1-2H3,(H,26,27)