[(3S)-2-oxidanylideneoxolan-3-yl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OC3CCOC3=O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)O[C@H]3CCOC3=O

InChI

InChI=1S/C18H19NO4/c1-12-10-15(17(20)23-16-8-9-22-18(16)21)13(2)19(12)11-14-6-4-3-5-7-14/h3-7,10,16H,8-9,11H2,1-2H3/t16-/m0/s1