methyl 4-[2-oxidanyl-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanyl-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[4-(2-pyridylmethyl)piperazin-1-yl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-(2-pyridinylmethyl)-1-piperazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[4-(2-pyridylmethyl)piperazino]propoxy]benzoic acid methyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC=CC=N3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC=CC=N3)O

InChI

InChI=1S/C21H27N3O4/c1-27-21(26)17-5-7-20(8-6-17)28-16-19(25)15-24-12-10-23(11-13-24)14-18-4-2-3-9-22-18/h2-9,19,25H,10-16H2,1H3