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

Systemtic Name: 4,5-dimethyl-3-[2-oxidanyl-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidyl)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[2-hydroxy-3-(4-hydroxy-4-phenyl-piperidino)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=C1OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)C(=O)O)C

InChI

InChI=1S/C21H28N2O5/c1-14-15(2)22-18(20(25)26)19(14)28-13-17(24)12-23-10-8-21(27,9-11-23)16-6-4-3-5-7-16/h3-7,17,22,24,27H,8-13H2,1-2H3,(H,25,26)