(phenylmethyl) (2R,5S)-2-butyl-5-[(E)-7-(1-ethoxyethoxy)-4-oxidanylidene-hept-2-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S)-2-butyl-5-[(E)-7-(1-ethoxyethoxy)-4-oxidanylidene-hept-2-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5S)-2-butyl-5-[(E)-7-(1-ethoxyethoxy)-4-oxo-hept-2-enyl]pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-butyl-5-[(E)-7-(1-ethoxyethoxy)-4-oxohept-2-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-butyl-5-[(E)-7-(1-ethoxyethoxy)-4-oxohept-2-enyl]pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-butyl-5-[(E)-7-(1-ethoxyethoxy)-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)CCCOC(C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO5/c1-4-6-14-24-18-19-25(28(24)27(30)33-21-23-12-8-7-9-13-23)15-10-16-26(29)17-11-20-32-22(3)31-5-2/h7-10,12-13,16,22,24-25H,4-6,11,14-15,17-21H2,1-3H3/b16-10+/t22?,24-,25-/m1/s1