(3S)-N-(2,5-dimethylphenyl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(2,5-dimethylphenyl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(2,5-dimethylphenyl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(2,5-dimethylphenyl)-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(2,5-dimethylphenyl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: (3S)-N-(2,5-dimethylphenyl)-5-keto-1-phenethyl-pyrrolidine-3-carboxamide Formula: C21H24N2O2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2/c1-15-8-9-16(2)19(12-15)22-21(25)18-13-20(24)23(14-18)11-10-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,22,25)/t18-/m0/s1