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

Systemtic Name: 4-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxybutanoic acid Openeye Name: 4-[1-[(4-methylpiperazin-1-yl)methyl]-2-(2-phenethylphenoxy)ethoxy]butanoic acid CAS Name: 4-[1-(4-methyl-1-piperazinyl)-3-(2-phenethylphenoxy)propan-2-yl]oxybutanoic acid IUPAC Name: 4-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxybutanoic acid Traditional Name: 4-[1-[(4-methylpiperazino)methyl]-2-(2-phenethylphenoxy)ethoxy]butyric acid Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4/c1-27-15-17-28(18-16-27)20-24(31-19-7-12-26(29)30)21-32-25-11-6-5-10-23(25)14-13-22-8-3-2-4-9-22/h2-6,8-11,24H,7,12-21H2,1H3,(H,29,30)