(2-cyanophenyl)methyl (3R)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-cyanophenyl)methyl (3R)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-cyanophenyl)methyl (3R)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxylic acid (2-cyanobenzyl) ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C[C@@H](CC2=O)C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N2O4/c1-14-7-8-19(26-2)18(9-14)23-12-17(10-20(23)24)21(25)27-13-16-6-4-3-5-15(16)11-22/h3-9,17H,10,12-13H2,1-2H3/t17-/m1/s1