methyl 4-[(3-oxidanylidenepiperazin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(3-oxidanylidenepiperazin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(3-oxopiperazin-1-yl)methyl]benzoate CAS Name: 4-[(3-oxo-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-oxopiperazin-1-yl)methyl]benzoate Traditional Name: 4-[(3-ketopiperazino)methyl]benzoic acid methyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCNC(=O)C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCNC(=O)C2

InChI

InChI=1S/C13H16N2O3/c1-18-13(17)11-4-2-10(3-5-11)8-15-7-6-14-12(16)9-15/h2-5H,6-9H2,1H3,(H,14,16)