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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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