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

Systemtic Name: 3-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanyl-propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2-hydroxy-propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-hydroxypropoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-hydroxypropoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[3-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-2-hydroxy-propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C21H27ClN2O5 MolecularWeight: 422.90248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O5/c1-13-14(2)23-18(20(26)27)19(13)29-12-17(25)11-24-9-7-21(28,8-10-24)15-3-5-16(22)6-4-15/h3-6,17,23,25,28H,7-12H2,1-2H3,(H,26,27)