[(2S)-3-(1-cyano-4-oxidanylidene-quinolizin-3-yl)-2-oxidanyl-propyl] benzoate

Systemtic Name: [(2S)-3-(1-cyano-4-oxidanylidene-quinolizin-3-yl)-2-oxidanyl-propyl] benzoate Openeye Name: [(2S)-3-(1-cyano-4-oxo-quinolizin-3-yl)-2-hydroxy-propyl] benzoate CAS Name: benzoic acid [(2S)-3-(1-cyano-4-oxo-3-quinolizinyl)-2-hydroxypropyl] ester IUPAC Name: [(2S)-3-(1-cyano-4-oxoquinolizin-3-yl)-2-hydroxypropyl] benzoate Traditional Name: benzoic acid [(2S)-3-(1-cyano-4-keto-quinolizin-3-yl)-2-hydroxy-propyl] ester Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(CC2=CC(=C3C=CC=CN3C2=O)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@H](CC2=CC(=C3C=CC=CN3C2=O)C#N)O

InChI

InChI=1S/C20H16N2O4/c21-12-16-10-15(19(24)22-9-5-4-8-18(16)22)11-17(23)13-26-20(25)14-6-2-1-3-7-14/h1-10,17,23H,11,13H2/t17-/m0/s1