[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] (3S)-5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] (3S)-5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C23H25NO4/c1-16-8-9-20(17(2)12-16)21(25)15-28-23(27)19-13-22(26)24(14-19)11-10-18-6-4-3-5-7-18/h3-9,12,19H,10-11,13-15H2,1-2H3/t19-/m0/s1