5-oxidanylidene-5-[1-(2-phenethylphenoxy)-3-piperidin-1-yl-propan-2-yl]oxy-pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[1-(2-phenethylphenoxy)-3-piperidin-1-yl-propan-2-yl]oxy-pentanoic acid Openeye Name: 5-oxo-5-[1-[(2-phenethylphenoxy)methyl]-2-(1-piperidyl)ethoxy]pentanoic acid CAS Name: 5-oxo-5-[1-(2-phenethylphenoxy)-3-(1-piperidinyl)propan-2-yl]oxypentanoic acid IUPAC Name: 5-oxo-5-[1-(2-phenethylphenoxy)-3-piperidin-1-ylpropan-2-yl]oxypentanoic acid Traditional Name: 5-keto-5-[1-[(2-phenethylphenoxy)methyl]-2-piperidino-ethoxy]valeric acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)CCCC(=O)O

Isomeric SMILES

C1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)CCCC(=O)O

InChI

InChI=1S/C27H35NO5/c29-26(30)14-9-15-27(31)33-24(20-28-18-7-2-8-19-28)21-32-25-13-6-5-12-23(25)17-16-22-10-3-1-4-11-22/h1,3-6,10-13,24H,2,7-9,14-21H2,(H,29,30)