methyl 4-[4-[[(2S)-4-ethyl-2-methyl-3-oxidanylidene-piperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

Systemtic Name: methyl 4-[4-[[(2S)-4-ethyl-2-methyl-3-oxidanylidene-piperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[4-[[(2S)-4-ethyl-2-methyl-3-oxo-piperazin-1-yl]methyl]-5-methyl-oxazol-2-yl]benzoate CAS Name: 4-[4-[[(2S)-4-ethyl-2-methyl-3-oxo-1-piperazinyl]methyl]-5-methyl-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[(2S)-4-ethyl-2-methyl-3-oxopiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[4-[[(2S)-4-ethyl-3-keto-2-methyl-piperazino]methyl]-5-methyl-oxazol-2-yl]benzoic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(C1=O)C)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCN1CCN([C@H](C1=O)C)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H25N3O4/c1-5-22-10-11-23(13(2)19(22)24)12-17-14(3)27-18(21-17)15-6-8-16(9-7-15)20(25)26-4/h6-9,13H,5,10-12H2,1-4H3/t13-/m0/s1