ethyl 4-[[3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-5-methyl-2-oxidanyl-phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-5-methyl-2-oxidanyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-hydroxy-5-methyl-phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-2-hydroxy-5-methylphenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-hydroxy-5-methylphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(4-carbethoxypiperazino)methyl]-2-hydroxy-5-methyl-benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H36N4O5 MolecularWeight: 448.55574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=CC(=C2O)CN3CCN(CC3)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=CC(=C2O)CN3CCN(CC3)C(=O)OCC)C

InChI

InChI=1S/C23H36N4O5/c1-4-31-22(29)26-10-6-24(7-11-26)16-19-14-18(3)15-20(21(19)28)17-25-8-12-27(13-9-25)23(30)32-5-2/h14-15,28H,4-13,16-17H2,1-3H3