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

Systemtic Name: 2-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclobutane-1-carboxylic acid Openeye Name: 2-[1-[(4-methylpiperazin-1-yl)methyl]-2-(2-phenethylphenoxy)ethoxy]carbonylcyclobutanecarboxylic acid CAS Name: 2-[[1-(4-methyl-1-piperazinyl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-oxomethyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclobutane-1-carboxylic acid Traditional Name: 2-[1-[(4-methylpiperazino)methyl]-2-(2-phenethylphenoxy)ethoxy]carbonylcyclobutanecarboxylic acid Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4CCC4C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4CCC4C(=O)O

InChI

InChI=1S/C28H36N2O5/c1-29-15-17-30(18-16-29)19-23(35-28(33)25-14-13-24(25)27(31)32)20-34-26-10-6-5-9-22(26)12-11-21-7-3-2-4-8-21/h2-10,23-25H,11-20H2,1H3,(H,31,32)