ethyl 4-[2-oxidanyl-3-(3-oxidanylidenepiperazin-1-yl)propoxy]benzoate

Systemtic Name: ethyl 4-[2-oxidanyl-3-(3-oxidanylidenepiperazin-1-yl)propoxy]benzoate Openeye Name: ethyl 4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(3-oxo-1-piperazinyl)propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(3-ketopiperazino)propoxy]benzoic acid ethyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CCNC(=O)C2)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CCNC(=O)C2)O

InChI

InChI=1S/C16H22N2O5/c1-2-22-16(21)12-3-5-14(6-4-12)23-11-13(19)9-18-8-7-17-15(20)10-18/h3-6,13,19H,2,7-11H2,1H3,(H,17,20)