tert-butyl (2S)-2-[(E)-4-oxidanylidene-4-phenylmethoxy-3-(phenylmethyl)but-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(E)-4-oxidanylidene-4-phenylmethoxy-3-(phenylmethyl)but-1-enyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(E)-3-benzyl-4-benzyloxy-4-oxo-but-1-enyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(E)-4-oxo-4-phenylmethoxy-3-(phenylmethyl)but-1-enyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(E)-3-benzyl-4-oxo-4-phenylmethoxybut-1-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(E)-4-benzoxy-3-benzyl-4-keto-but-1-enyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C=CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1/C=C/C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H33NO4/c1-27(2,3)32-26(30)28-18-10-15-24(28)17-16-23(19-21-11-6-4-7-12-21)25(29)31-20-22-13-8-5-9-14-22/h4-9,11-14,16-17,23-24H,10,15,18-20H2,1-3H3/b17-16+/t23?,24-/m0/s1