2-[1-(diethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclopentane-1-carboxylic acid

Systemtic Name: 2-[1-(diethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclopentane-1-carboxylic acid Openeye Name: 2-[1-(diethylaminomethyl)-2-(2-phenethylphenoxy)ethoxy]carbonylcyclopentanecarboxylic acid CAS Name: 2-[[1-(diethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxy-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[1-(diethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclopentane-1-carboxylic acid Traditional Name: 2-[1-(diethylaminomethyl)-2-(2-phenethylphenoxy)ethoxy]carbonylcyclopentanecarboxylic acid Formula: C28H37NO5 MolecularWeight: 467.59708

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)OC(=O)C3CCCC3C(=O)O

Isomeric SMILES

CCN(CC)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)OC(=O)C3CCCC3C(=O)O

InChI

InChI=1S/C28H37NO5/c1-3-29(4-2)19-23(34-28(32)25-15-10-14-24(25)27(30)31)20-33-26-16-9-8-13-22(26)18-17-21-11-6-5-7-12-21/h5-9,11-13,16,23-25H,3-4,10,14-15,17-20H2,1-2H3,(H,30,31)