tert-butyl (2S,3S,4R)-5-oxidanylidene-4-[(E)-3-phenylprop-2-enyl]-3-propyl-pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,3S,4R)-5-oxidanylidene-4-[(E)-3-phenylprop-2-enyl]-3-propyl-pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,3S,4R)-4-[(E)-cinnamyl]-5-oxo-3-propyl-pyrrolidine-2-carboxylate CAS Name: (2S,3S,4R)-5-oxo-4-[(E)-3-phenylprop-2-enyl]-3-propyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,4R)-5-oxo-4-[(E)-3-phenylprop-2-enyl]-3-propylpyrrolidine-2-carboxylate Traditional Name: (2S,3S,4R)-4-[(E)-cinnamyl]-5-keto-3-propyl-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(=O)NC1C(=O)OC(C)(C)C)CC=CC2=CC=CC=C2

Isomeric SMILES

CCC[C@H]1[C@H](C(=O)N[C@@H]1C(=O)OC(C)(C)C)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H29NO3/c1-5-10-16-17(14-9-13-15-11-7-6-8-12-15)19(23)22-18(16)20(24)25-21(2,3)4/h6-9,11-13,16-18H,5,10,14H2,1-4H3,(H,22,23)/b13-9+/t16-,17+,18-/m0/s1