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

Systemtic Name: 5-methyl-3-[2-oxidanyl-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propoxy]-4-(phenylmethyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-benzyl-3-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidyl)propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]-5-methyl-4-(phenylmethyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-benzyl-3-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-benzyl-3-[2-hydroxy-3-(4-hydroxy-4-phenyl-piperidino)propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(=O)O)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)O)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O5/c1-19-23(16-20-8-4-2-5-9-20)25(24(28-19)26(31)32)34-18-22(30)17-29-14-12-27(33,13-15-29)21-10-6-3-7-11-21/h2-11,22,28,30,33H,12-18H2,1H3,(H,31,32)