(3R)-1-[2-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[2-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[2-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C21H22NO4- MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)CCN3CC(CC3=O)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)CCN3C[C@@H](CC3=O)C(=O)[O-])C

InChI

InChI=1S/C21H23NO4/c1-14-9-15(2)11-19(10-14)26-18-5-3-16(4-6-18)7-8-22-13-17(21(24)25)12-20(22)23/h3-6,9-11,17H,7-8,12-13H2,1-2H3,(H,24,25)/p-1/t17-/m1/s1