4-[1-(dimethylamino)-3-[2-(4-phenylbutyl)phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(dimethylamino)-3-[2-(4-phenylbutyl)phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-(dimethylaminomethyl)-2-[2-(4-phenylbutyl)phenoxy]ethoxy]-4-oxo-butanoic acid CAS Name: 4-[1-(dimethylamino)-3-[2-(4-phenylbutyl)phenoxy]propan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[1-(dimethylamino)-3-[2-(4-phenylbutyl)phenoxy]propan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[1-(dimethylaminomethyl)-2-[2-(4-phenylbutyl)phenoxy]ethoxy]-4-keto-butyric acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=CC=C1CCCCC2=CC=CC=C2)OC(=O)CCC(=O)O

Isomeric SMILES

CN(C)CC(COC1=CC=CC=C1CCCCC2=CC=CC=C2)OC(=O)CCC(=O)O

InChI

InChI=1S/C25H33NO5/c1-26(2)18-22(31-25(29)17-16-24(27)28)19-30-23-15-9-8-14-21(23)13-7-6-12-20-10-4-3-5-11-20/h3-5,8-11,14-15,22H,6-7,12-13,16-19H2,1-2H3,(H,27,28)