3-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxypropanoic acid

Systemtic Name: 3-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxypropanoic acid Openeye Name: 3-[1-[(4-methylpiperazin-1-yl)methyl]-2-(2-phenethylphenoxy)ethoxy]propanoic acid CAS Name: 3-[1-(4-methyl-1-piperazinyl)-3-(2-phenethylphenoxy)propan-2-yl]oxypropanoic acid IUPAC Name: 3-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxypropanoic acid Traditional Name: 3-[1-[(4-methylpiperazino)methyl]-2-(2-phenethylphenoxy)ethoxy]propionic acid Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OCCC(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OCCC(=O)O

InChI

InChI=1S/C25H34N2O4/c1-26-14-16-27(17-15-26)19-23(30-18-13-25(28)29)20-31-24-10-6-5-9-22(24)12-11-21-7-3-2-4-8-21/h2-10,23H,11-20H2,1H3,(H,28,29)