(2,5-dimethylphenyl) (3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2,5-dimethylphenyl) (3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2,5-dimethylphenyl) (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) (3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-p-phenetyl-pyrrolidine-3-carboxylic acid (2,5-dimethylphenyl) ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H23NO4/c1-4-25-18-9-7-17(8-10-18)22-13-16(12-20(22)23)21(24)26-19-11-14(2)5-6-15(19)3/h5-11,16H,4,12-13H2,1-3H3/t16-/m0/s1