(2-iodanyl-4-methyl-phenyl) 2-methyl-1-(phenylmethoxymethyl)cyclopent-2-ene-1-carboxylate

Systemtic Name: (2-iodanyl-4-methyl-phenyl) 2-methyl-1-(phenylmethoxymethyl)cyclopent-2-ene-1-carboxylate Openeye Name: (2-iodo-4-methyl-phenyl) 1-(benzyloxymethyl)-2-methyl-cyclopent-2-ene-1-carboxylate CAS Name: 2-methyl-1-(phenylmethoxymethyl)-1-cyclopent-2-enecarboxylic acid (2-iodo-4-methylphenyl) ester IUPAC Name: (2-iodo-4-methylphenyl) 2-methyl-1-(phenylmethoxymethyl)cyclopent-2-ene-1-carboxylate Traditional Name: 1-(benzoxymethyl)-2-methyl-cyclopent-2-ene-1-carboxylic acid (2-iodo-4-methyl-phenyl) ester Formula: C22H23IO3 MolecularWeight: 462.32069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC1(COCC2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)C)I

Isomeric SMILES

CC1=CCCC1(COCC2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)C)I

InChI

InChI=1S/C22H23IO3/c1-16-10-11-20(19(23)13-16)26-21(24)22(12-6-7-17(22)2)15-25-14-18-8-4-3-5-9-18/h3-5,7-11,13H,6,12,14-15H2,1-2H3