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

Systemtic Name: methyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-26-17(25)14-3-5-15(6-4-14)21-16(24)13-22-9-11-23(12-10-22)18-19-7-2-8-20-18/h2-8H,9-13H2,1H3,(H,21,24)