6-[1-(2-phenethylphenoxy)-3-pyrrolidin-1-yl-propan-2-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[1-(2-phenethylphenoxy)-3-pyrrolidin-1-yl-propan-2-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[1-[(2-phenethylphenoxy)methyl]-2-pyrrolidin-1-yl-ethoxy]carbonylcyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[1-(2-phenethylphenoxy)-3-(1-pyrrolidinyl)propan-2-yl]oxymethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[1-(2-phenethylphenoxy)-3-pyrrolidin-1-ylpropan-2-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[1-[(2-phenethylphenoxy)methyl]-2-pyrrolidino-ethoxy]carbonylcyclohex-3-ene-1-carboxylic acid Formula: C29H35NO5 MolecularWeight: 477.5919

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

C1CCN(C1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C29H35NO5/c31-28(32)25-13-5-6-14-26(25)29(33)35-24(20-30-18-8-9-19-30)21-34-27-15-7-4-12-23(27)17-16-22-10-2-1-3-11-22/h1-7,10-12,15,24-26H,8-9,13-14,16-21H2,(H,31,32)