5-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-5-oxidanylidene-pentanoic acid Openeye Name: 5-[1-[(4-methylpiperazin-1-yl)methyl]-2-(2-phenethylphenoxy)ethoxy]-5-oxo-pentanoic acid CAS Name: 5-[1-(4-methyl-1-piperazinyl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-5-oxopentanoic acid IUPAC Name: 5-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-5-oxopentanoic acid Traditional Name: 5-keto-5-[1-[(4-methylpiperazino)methyl]-2-(2-phenethylphenoxy)ethoxy]valeric acid Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O5/c1-28-16-18-29(19-17-28)20-24(34-27(32)13-7-12-26(30)31)21-33-25-11-6-5-10-23(25)15-14-22-8-3-2-4-9-22/h2-6,8-11,24H,7,12-21H2,1H3,(H,30,31)