ethyl 2-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-2-[(phenylmethyl)carbamoyl]piperazin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-2-[(phenylmethyl)carbamoyl]piperazin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[2-(benzylcarbamoyl)-4-(2-ethoxy-2-oxo-ethyl)piperazine-1-carbonyl]amino]acetate CAS Name: 2-[[[4-(2-ethoxy-2-oxoethyl)-2-[oxo-[(phenylmethyl)amino]methyl]-1-piperazinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzylcarbamoyl)-4-(2-ethoxy-2-oxoethyl)piperazine-1-carbonyl]amino]acetate Traditional Name: 2-[[2-(benzylcarbamoyl)-4-(2-ethoxy-2-keto-ethyl)piperazine-1-carbonyl]amino]acetic acid ethyl ester Formula: C21H30N4O6 MolecularWeight: 434.4861

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCN(CC1C(=O)NCC2=CC=CC=C2)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCN(CC1C(=O)NCC2=CC=CC=C2)CC(=O)OCC

InChI

InChI=1S/C21H30N4O6/c1-3-30-18(26)13-23-21(29)25-11-10-24(15-19(27)31-4-2)14-17(25)20(28)22-12-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,22,28)(H,23,29)