ethyl 4-[2-[(2S)-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(2S)-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(2S)-1-(ethylcarbamoyl)-3-oxo-piperazin-2-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2S)-1-(ethylcarbamoyl)-3-oxo-2-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2S)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2S)-1-(ethylcarbamoyl)-3-keto-piperazin-2-yl]acetyl]amino]benzoic acid ethyl ester Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCNC(=O)C1CC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCNC(=O)N1CCNC(=O)[C@@H]1CC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H24N4O5/c1-3-19-18(26)22-10-9-20-16(24)14(22)11-15(23)21-13-7-5-12(6-8-13)17(25)27-4-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,19,26)(H,20,24)(H,21,23)/t14-/m0/s1