(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-methylbenzyl)pyrrolidine-3-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C[C@H](CC2=O)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c1-15-7-9-16(10-8-15)12-25-13-18(11-20(25)26)22(27)28-14-19-23-24-21(29-19)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3/t18-/m0/s1