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

Systemtic Name: 2-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexene-1-carboxylic acid Openeye Name: 2-[1-[(4-methylpiperazin-1-yl)methyl]-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohexene-1-carboxylic acid CAS Name: 2-[[1-(4-methyl-1-piperazinyl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[1-(4-methylpiperazin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexene-1-carboxylic acid Traditional Name: 2-[1-[(4-methylpiperazino)methyl]-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohexene-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)C4=C(CCCC4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4=C(CCCC4)C(=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/h2-5,8-11,14,25H,6-7,12-13,15-22H2,1H3,(H,33,34)