[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (3S)-1-(2-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21NO6/c1-2-14-5-3-4-6-17(14)23-11-16(10-21(23)25)22(26)27-12-18(24)15-7-8-19-20(9-15)29-13-28-19/h3-9,16H,2,10-13H2,1H3/t16-/m0/s1