tert-butyl (2S,3R)-2-ethyl-3-[(2E)-2-(2-oxidanylidene-2-phenylmethoxy-ethylidene)pyrrolidin-1-yl]hexanoate

Systemtic Name: tert-butyl (2S,3R)-2-ethyl-3-[(2E)-2-(2-oxidanylidene-2-phenylmethoxy-ethylidene)pyrrolidin-1-yl]hexanoate Openeye Name: tert-butyl (2S,3R)-3-[(2E)-2-(2-benzyloxy-2-oxo-ethylidene)pyrrolidin-1-yl]-2-ethyl-hexanoate CAS Name: (2S,3R)-2-ethyl-3-[(2E)-2-(2-oxo-2-phenylmethoxyethylidene)-1-pyrrolidinyl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-ethyl-3-[(2E)-2-(2-oxo-2-phenylmethoxyethylidene)pyrrolidin-1-yl]hexanoate Traditional Name: (2S,3R)-3-[(2E)-2-(2-benzoxy-2-keto-ethylidene)pyrrolidino]-2-ethyl-hexanoic acid tert-butyl ester Formula: C25H37NO4 MolecularWeight: 415.56558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)C(=O)OC(C)(C)C)N1CCCC1=CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC[C@H]([C@H](CC)C(=O)OC(C)(C)C)N\1CCC/C1=C\C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H37NO4/c1-6-12-22(21(7-2)24(28)30-25(3,4)5)26-16-11-15-20(26)17-23(27)29-18-19-13-9-8-10-14-19/h8-10,13-14,17,21-22H,6-7,11-12,15-16,18H2,1-5H3/b20-17+/t21-,22+/m0/s1