(phenylmethyl) 4-[2-(3-oxidanylidenebutanoylcarbamoylamino)ethyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(3-oxidanylidenebutanoylcarbamoylamino)ethyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-(3-oxobutanoylcarbamoylamino)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(1,3-dioxobutylamino)-oxomethyl]amino]ethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(3-oxobutanoylcarbamoylamino)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(acetoacetylcarbamoylamino)ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC(=O)NCCN1CCN(CC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(=O)NC(=O)NCCN1CCN(CC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H26N4O5/c1-15(24)13-17(25)21-18(26)20-7-8-22-9-11-23(12-10-22)19(27)28-14-16-5-3-2-4-6-16/h2-6H,7-14H2,1H3,(H2,20,21,25,26)