(2,3,6-trimethylphenyl) 5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-15-9-10-16(2)21(17(15)3)26-22(25)19-13-20(24)23(14-19)12-11-18-7-5-4-6-8-18/h4-10,19H,11-14H2,1-3H3