methyl 2-iodanyl-3-[(3-oxidanylidene-6-pentyl-cyclohexen-1-yl)amino]benzoate

Systemtic Name: methyl 2-iodanyl-3-[(3-oxidanylidene-6-pentyl-cyclohexen-1-yl)amino]benzoate Openeye Name: methyl 2-iodo-3-[(3-oxo-6-pentyl-cyclohexen-1-yl)amino]benzoate CAS Name: 2-iodo-3-[(3-oxo-6-pentyl-1-cyclohexenyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-iodo-3-[(3-oxo-6-pentylcyclohexen-1-yl)amino]benzoate Traditional Name: 3-[(6-amyl-3-keto-cyclohexen-1-yl)amino]-2-iodo-benzoic acid methyl ester Formula: C19H24INO3 MolecularWeight: 441.30323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(=O)C=C1NC2=CC=CC(=C2I)C(=O)OC

Isomeric SMILES

CCCCCC1CCC(=O)C=C1NC2=CC=CC(=C2I)C(=O)OC

InChI

InChI=1S/C19H24INO3/c1-3-4-5-7-13-10-11-14(22)12-17(13)21-16-9-6-8-15(18(16)20)19(23)24-2/h6,8-9,12-13,21H,3-5,7,10-11H2,1-2H3