(phenylmethyl) (2R,5S)-2-butyl-5-[(E)-5,5-diethoxy-4-oxidanylidene-hept-2-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S)-2-butyl-5-[(E)-5,5-diethoxy-4-oxidanylidene-hept-2-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5S)-2-butyl-5-[(E)-5,5-diethoxy-4-oxo-hept-2-enyl]pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-butyl-5-[(E)-5,5-diethoxy-4-oxohept-2-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-butyl-5-[(E)-5,5-diethoxy-4-oxohept-2-enyl]pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-butyl-5-[(E)-5,5-diethoxy-4-keto-hept-2-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H41NO5 MolecularWeight: 459.61814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CC=CC(=O)C(CC)(OCC)OCC

Isomeric SMILES

CCCC[C@@H]1CC[C@H](N1C(=O)OCC2=CC=CC=C2)C/C=C/C(=O)C(CC)(OCC)OCC

InChI

InChI=1S/C27H41NO5/c1-5-9-16-23-19-20-24(28(23)26(30)31-21-22-14-11-10-12-15-22)17-13-18-25(29)27(6-2,32-7-3)33-8-4/h10-15,18,23-24H,5-9,16-17,19-21H2,1-4H3/b18-13+/t23-,24-/m1/s1