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

Systemtic Name: 2-[1-(diethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclobutane-1-carboxylic acid Openeye Name: 2-[1-(diethylaminomethyl)-2-(2-phenethylphenoxy)ethoxy]carbonylcyclobutanecarboxylic acid CAS Name: 2-[[1-(diethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxy-oxomethyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-[1-(diethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclobutane-1-carboxylic acid Traditional Name: 2-[1-(diethylaminomethyl)-2-(2-phenethylphenoxy)ethoxy]carbonylcyclobutanecarboxylic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)OC(=O)C3CCC3C(=O)O

Isomeric SMILES

CCN(CC)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)OC(=O)C3CCC3C(=O)O

InChI

InChI=1S/C27H35NO5/c1-3-28(4-2)18-22(33-27(31)24-17-16-23(24)26(29)30)19-32-25-13-9-8-12-21(25)15-14-20-10-6-5-7-11-20/h5-13,22-24H,3-4,14-19H2,1-2H3,(H,29,30)