2-[1-(dimethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexene-1-carboxylic acid

Systemtic Name: 2-[1-(dimethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexene-1-carboxylic acid Openeye Name: 2-[1-(dimethylaminomethyl)-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohexene-1-carboxylic acid CAS Name: 2-[[1-(dimethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxy-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[1-(dimethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexene-1-carboxylic acid Traditional Name: 2-[1-(dimethylaminomethyl)-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohexene-1-carboxylic acid Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)OC(=O)C3=C(CCCC3)C(=O)O

Isomeric SMILES

CN(C)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)OC(=O)C3=C(CCCC3)C(=O)O

InChI

InChI=1S/C27H33NO5/c1-28(2)18-22(33-27(31)24-14-8-7-13-23(24)26(29)30)19-32-25-15-9-6-12-21(25)17-16-20-10-4-3-5-11-20/h3-6,9-12,15,22H,7-8,13-14,16-19H2,1-2H3,(H,29,30)