6-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[1-[(4-methylpiperazin-1-yl)methyl]-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[1-(4-methyl-1-piperazinyl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[1-[(4-methylpiperazino)methyl]-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohex-3-ene-1-carboxylic acid Formula: C30H38N2O5 MolecularWeight: 506.63312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C30H38N2O5/c1-31-17-19-32(20-18-31)21-25(37-30(35)27-13-7-6-12-26(27)29(33)34)22-36-28-14-8-5-11-24(28)16-15-23-9-3-2-4-10-23/h2-11,14,25-27H,12-13,15-22H2,1H3,(H,33,34)