propan-2-yl 4-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(3-oxopiperazin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(3-oxopiperazin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-ketopiperazino)acetyl]amino]benzoic acid isopropyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2CCNC(=O)C2

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2CCNC(=O)C2

InChI

InChI=1S/C16H21N3O4/c1-11(2)23-16(22)12-3-5-13(6-4-12)18-15(21)10-19-8-7-17-14(20)9-19/h3-6,11H,7-10H2,1-2H3,(H,17,20)(H,18,21)