ethyl (1S,2R)-1-(3-iodanylpropyl)-2-methyl-2-[(E)-3-phenylprop-2-enoxy]cyclopentane-1-carboxylate

Systemtic Name: ethyl (1S,2R)-1-(3-iodanylpropyl)-2-methyl-2-[(E)-3-phenylprop-2-enoxy]cyclopentane-1-carboxylate Openeye Name: ethyl (1S,2R)-2-[(E)-cinnamyl]oxy-1-(3-iodopropyl)-2-methyl-cyclopentanecarboxylate CAS Name: (1S,2R)-1-(3-iodopropyl)-2-methyl-2-[(E)-3-phenylprop-2-enoxy]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R)-1-(3-iodopropyl)-2-methyl-2-[(E)-3-phenylprop-2-enoxy]cyclopentane-1-carboxylate Traditional Name: (1S,2R)-2-[(E)-cinnamyl]oxy-1-(3-iodopropyl)-2-methyl-cyclopentanecarboxylic acid ethyl ester Formula: C21H29IO3 MolecularWeight: 456.35763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1(C)OCC=CC2=CC=CC=C2)CCCI

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[C@@]1(C)OC/C=C/C2=CC=CC=C2)CCCI

InChI

InChI=1S/C21H29IO3/c1-3-24-19(23)21(15-9-16-22)14-8-13-20(21,2)25-17-7-12-18-10-5-4-6-11-18/h4-7,10-12H,3,8-9,13-17H2,1-2H3/b12-7+/t20-,21-/m1/s1