2-[2-methyl-5-[[2-oxidanylidene-6-(3-oxidanyl-4-phenyl-but-1-ynyl)piperidin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-5-[[2-oxidanylidene-6-(3-oxidanyl-4-phenyl-but-1-ynyl)piperidin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[5-[[2-(3-hydroxy-4-phenyl-but-1-ynyl)-6-oxo-1-piperidyl]methyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[5-[[2-(3-hydroxy-4-phenylbut-1-ynyl)-6-oxo-1-piperidinyl]methyl]-2-methylphenoxy]acetic acid IUPAC Name: 2-[5-[[2-(3-hydroxy-4-phenylbut-1-ynyl)-6-oxopiperidin-1-yl]methyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[5-[[2-(3-hydroxy-4-phenyl-but-1-ynyl)-6-keto-piperidino]methyl]-2-methyl-phenoxy]acetic acid Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C(CCCC2=O)C#CC(CC3=CC=CC=C3)O)OCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C(CCCC2=O)C#CC(CC3=CC=CC=C3)O)OCC(=O)O

InChI

InChI=1S/C25H27NO5/c1-18-10-11-20(15-23(18)31-17-25(29)30)16-26-21(8-5-9-24(26)28)12-13-22(27)14-19-6-3-2-4-7-19/h2-4,6-7,10-11,15,21-22,27H,5,8-9,14,16-17H2,1H3,(H,29,30)