methyl 2-(3-oxidanylidenepiperazin-2-yl)-2-phenyl-ethanoate

Systemtic Name: methyl 2-(3-oxidanylidenepiperazin-2-yl)-2-phenyl-ethanoate Openeye Name: methyl 2-(3-oxopiperazin-2-yl)-2-phenyl-acetate CAS Name: 2-(3-oxo-2-piperazinyl)-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-(3-oxopiperazin-2-yl)-2-phenylacetate Traditional Name: 2-(3-ketopiperazin-2-yl)-2-phenyl-acetic acid methyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1C(=O)NCCN1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(C1C(=O)NCCN1)C2=CC=CC=C2

InChI

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