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

Systemtic Name: ethyl 4-[2-[(2S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(2S)-2-(2-methoxy-2-oxo-ethyl)-3-oxo-piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2S)-2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2S)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2S)-3-keto-2-(2-keto-2-methoxy-ethyl)piperazino]acetyl]amino]benzoic acid ethyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OC

InChI

InChI=1S/C18H23N3O6/c1-3-27-18(25)12-4-6-13(7-5-12)20-15(22)11-21-9-8-19-17(24)14(21)10-16(23)26-2/h4-7,14H,3,8-11H2,1-2H3,(H,19,24)(H,20,22)/t14-/m0/s1