ethyl 2-[4-[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]piperazin-1-yl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)O)O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)O)O

InChI

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