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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(=O)O

InChI

InChI=1S/C25H33NO5/c1-4-19-8-7-9-20(16-19)12-13-21-10-5-6-11-23(21)30-18-22(17-26(2)3)31-25(29)15-14-24(27)28/h5-11,16,22H,4,12-15,17-18H2,1-3H3,(H,27,28)