methyl 5-[(E)-1-iodanyl-6-(methylamino)-6-oxidanylidene-hex-1-enyl]-2-methoxy-3-methyl-benzoate

Systemtic Name: methyl 5-[(E)-1-iodanyl-6-(methylamino)-6-oxidanylidene-hex-1-enyl]-2-methoxy-3-methyl-benzoate Openeye Name: methyl 5-[(E)-1-iodo-6-(methylamino)-6-oxo-hex-1-enyl]-2-methoxy-3-methyl-benzoate CAS Name: 5-[(E)-1-iodo-6-(methylamino)-6-oxohex-1-enyl]-2-methoxy-3-methylbenzoic acid methyl ester IUPAC Name: methyl 5-[(E)-1-iodo-6-(methylamino)-6-oxohex-1-enyl]-2-methoxy-3-methylbenzoate Traditional Name: 5-[(E)-1-iodo-6-keto-6-(methylamino)hex-1-enyl]-2-methoxy-3-methyl-benzoic acid methyl ester Formula: C17H22INO4 MolecularWeight: 431.26535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C(=O)OC)C(=CCCCC(=O)NC)I

Isomeric SMILES

CC1=CC(=CC(=C1OC)C(=O)OC)/C(=C\CCCC(=O)NC)/I

InChI

InChI=1S/C17H22INO4/c1-11-9-12(10-13(16(11)22-3)17(21)23-4)14(18)7-5-6-8-15(20)19-2/h7,9-10H,5-6,8H2,1-4H3,(H,19,20)/b14-7+