tert-butyl (2S)-2-[(3S,4S)-5-oxidanylidene-4-phenyl-5-pyrrolidin-1-yl-pent-1-en-3-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(3S,4S)-5-oxidanylidene-4-phenyl-5-pyrrolidin-1-yl-pent-1-en-3-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1S)-1-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]allyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(3S,4S)-5-oxo-4-phenyl-5-(1-pyrrolidinyl)pent-1-en-3-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(3S,4S)-5-oxo-4-phenyl-5-pyrrolidin-1-ylpent-1-en-3-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1S)-1-[(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl]allyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(C=C)C(C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](C=C)[C@@H](C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C24H34N2O3/c1-5-19(20-14-11-17-26(20)23(28)29-24(2,3)4)21(18-12-7-6-8-13-18)22(27)25-15-9-10-16-25/h5-8,12-13,19-21H,1,9-11,14-17H2,2-4H3/t19-,20+,21-/m1/s1