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

Systemtic Name: 2-[1-(diethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexene-1-carboxylic acid Openeye Name: 2-[1-(diethylaminomethyl)-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohexene-1-carboxylic acid CAS Name: 2-[[1-(diethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxy-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[1-(diethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexene-1-carboxylic acid Traditional Name: 2-[1-(diethylaminomethyl)-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohexene-1-carboxylic acid Formula: C29H37NO5 MolecularWeight: 479.60778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO5/c1-3-30(4-2)20-24(35-29(33)26-16-10-9-15-25(26)28(31)32)21-34-27-17-11-8-14-23(27)19-18-22-12-6-5-7-13-22/h5-8,11-14,17,24H,3-4,9-10,15-16,18-21H2,1-2H3,(H,31,32)