ethyl 4-oxidanylidene-3-[(2S)-2-oxidanyl-3-(phenylcarbonyloxy)propyl]quinolizine-1-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-[(2S)-2-oxidanyl-3-(phenylcarbonyloxy)propyl]quinolizine-1-carboxylate Openeye Name: ethyl 3-[(2S)-3-benzoyloxy-2-hydroxy-propyl]-4-oxo-quinolizine-1-carboxylate CAS Name: 3-[(2S)-3-benzoyloxy-2-hydroxypropyl]-4-oxo-1-quinolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-3-benzoyloxy-2-hydroxypropyl]-4-oxoquinolizine-1-carboxylate Traditional Name: 3-[(2S)-3-benzoyloxy-2-hydroxy-propyl]-4-keto-quinolizine-1-carboxylic acid ethyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C(=O)C(=C1)CC(COC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C(=O)C(=C1)C[C@@H](COC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H21NO6/c1-2-28-22(27)18-13-16(20(25)23-11-7-6-10-19(18)23)12-17(24)14-29-21(26)15-8-4-3-5-9-15/h3-11,13,17,24H,2,12,14H2,1H3/t17-/m0/s1