4-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[(4-methylpiperazin-1-yl)methyl]-2-(2-phenethylphenoxy)ethoxy]-4-oxo-butanoic acid CAS Name: 4-[1-(4-methyl-1-piperazinyl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-keto-4-[1-[(4-methylpiperazino)methyl]-2-(2-phenethylphenoxy)ethoxy]butyric acid Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)CCC(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)CCC(=O)O

InChI

InChI=1S/C26H34N2O5/c1-27-15-17-28(18-16-27)19-23(33-26(31)14-13-25(29)30)20-32-24-10-6-5-9-22(24)12-11-21-7-3-2-4-8-21/h2-10,23H,11-20H2,1H3,(H,29,30)