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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)C(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)CN3C[C@@H](CC3=O)C(=O)[O-])C)C

InChI

InChI=1S/C21H23NO4/c1-13-8-14(2)15(3)19(9-13)26-18-6-4-16(5-7-18)11-22-12-17(21(24)25)10-20(22)23/h4-9,17H,10-12H2,1-3H3,(H,24,25)/p-1/t17-/m1/s1