tert-butyl (2S,3S,4R)-5-oxidanylidene-4-(1-phenylprop-2-enyl)-3-propyl-pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,3S,4R)-5-oxidanylidene-4-(1-phenylprop-2-enyl)-3-propyl-pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,3S,4R)-5-oxo-4-(1-phenylallyl)-3-propyl-pyrrolidine-2-carboxylate CAS Name: (2S,3S,4R)-5-oxo-4-(1-phenylprop-2-enyl)-3-propyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,4R)-5-oxo-4-(1-phenylprop-2-enyl)-3-propylpyrrolidine-2-carboxylate Traditional Name: (2S,3S,4R)-5-keto-4-(1-phenylallyl)-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)C(C=C)C2=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/c1-6-11-16-17(15(7-2)14-12-9-8-10-13-14)19(23)22-18(16)20(24)25-21(3,4)5/h7-10,12-13,15-18H,2,6,11H2,1,3-5H3,(H,22,23)/t15?,16-,17+,18-/m0/s1