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

Systemtic Name: 4-ethyl-5-methyl-3-[2-oxidanyl-3-(4-phenylpiperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-ethyl-3-[2-hydroxy-3-(4-phenyl-1-piperidyl)propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-ethyl-3-[2-hydroxy-3-(4-phenyl-1-piperidinyl)propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-ethyl-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-ethyl-3-[2-hydroxy-3-(4-phenylpiperidino)propoxy]-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1OCC(CN2CCC(CC2)C3=CC=CC=C3)O)C(=O)O)C

Isomeric SMILES

CCC1=C(NC(=C1OCC(CN2CCC(CC2)C3=CC=CC=C3)O)C(=O)O)C

InChI

InChI=1S/C22H30N2O4/c1-3-19-15(2)23-20(22(26)27)21(19)28-14-18(25)13-24-11-9-17(10-12-24)16-7-5-4-6-8-16/h4-8,17-18,23,25H,3,9-14H2,1-2H3,(H,26,27)