methyl 4-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propoxy]benzoic acid methyl ester Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4/c1-26-18(25)15-3-5-17(6-4-15)27-14-16(24)13-22-9-11-23(12-10-22)19-20-7-2-8-21-19/h2-8,16,24H,9-14H2,1H3