ethyl 4-[(2R)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2R)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[4-(4-hydroxyphenyl)-1-piperazinyl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-[4-(4-hydroxyphenyl)piperazino]propoxy]benzoic acid ethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CN2CCN(CC2)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C22H28N2O5/c1-2-28-22(27)17-3-9-21(10-4-17)29-16-20(26)15-23-11-13-24(14-12-23)18-5-7-19(25)8-6-18/h3-10,20,25-26H,2,11-16H2,1H3/t20-/m1/s1