tert-butyl (2E,3S,5R)-5-nonyl-3-oxidanyl-2-(phenylmethylidene)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2E,3S,5R)-5-nonyl-3-oxidanyl-2-(phenylmethylidene)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2E,3S,5R)-2-benzylidene-3-hydroxy-5-nonyl-pyrrolidine-1-carboxylate CAS Name: (2E,3S,5R)-3-hydroxy-5-nonyl-2-(phenylmethylene)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2E,3S,5R)-2-benzylidene-3-hydroxy-5-nonylpyrrolidine-1-carboxylate Traditional Name: (2E,3S,5R)-2-benzal-3-hydroxy-5-nonyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CC(C(=CC2=CC=CC=C2)N1C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCC[C@@H]1C[C@@H](/C(=C\C2=CC=CC=C2)/N1C(=O)OC(C)(C)C)O

InChI

InChI=1S/C25H39NO3/c1-5-6-7-8-9-10-14-17-21-19-23(27)22(18-20-15-12-11-13-16-20)26(21)24(28)29-25(2,3)4/h11-13,15-16,18,21,23,27H,5-10,14,17,19H2,1-4H3/b22-18+/t21-,23+/m1/s1