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

Systemtic Name: phenacyl (3S)-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: phenacyl (3S)-1-(2,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (3S)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,5-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid phenacyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-14-8-9-15(2)18(10-14)22-12-17(11-20(22)24)21(25)26-13-19(23)16-6-4-3-5-7-16/h3-10,17H,11-13H2,1-2H3/t17-/m0/s1