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

Systemtic Name: 4,5-dimethyl-3-[2-oxidanyl-3-(4-phenylpiperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[2-hydroxy-3-(4-phenyl-1-piperidyl)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[2-hydroxy-3-(4-phenyl-1-piperidinyl)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[2-hydroxy-3-(4-phenylpiperidino)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-14-15(2)22-19(21(25)26)20(14)27-13-18(24)12-23-10-8-17(9-11-23)16-6-4-3-5-7-16/h3-7,17-18,22,24H,8-13H2,1-2H3,(H,25,26)