(2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-N-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-N-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(E)-cinnamyl]-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-N-[(E)-3-phenylprop-2-enyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(E)-cinnamyl]-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carboxamide Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)NCC=CC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O3/c1-4-21(2,3)18(24)20(26)23-15-9-13-17(23)19(25)22-14-8-12-16-10-6-5-7-11-16/h5-8,10-12,17H,4,9,13-15H2,1-3H3,(H,22,25)/b12-8+/t17-/m0/s1