methyl 4-[[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(2-pyridyl)piperazino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H24N4O3/c1-27-20(26)17-7-5-16(6-8-17)14-22-19(25)15-23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9H,10-15H2,1H3,(H,22,25)