(2-oxidanylidene-2-phenylazanyl-ethyl) (3S)-1-(2,6-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (3S)-1-(2,6-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (3S)-1-(2,6-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,6-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (3S)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,6-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-14-7-6-8-15(2)20(14)23-12-16(11-19(23)25)21(26)27-13-18(24)22-17-9-4-3-5-10-17/h3-10,16H,11-13H2,1-2H3,(H,22,24)/t16-/m0/s1