methyl 4-(cyclohexen-1-yl)-2-[(2-iodanylphenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(cyclohexen-1-yl)-2-[(2-iodanylphenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(cyclohexen-1-yl)-2-[(2-iodophenyl)methyl]-4-oxo-butanoate CAS Name: 4-(1-cyclohexenyl)-2-[(2-iodophenyl)methyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(cyclohexen-1-yl)-2-[(2-iodophenyl)methyl]-4-oxobutanoate Traditional Name: 4-(cyclohexen-1-yl)-2-(2-iodobenzyl)-4-keto-butyric acid methyl ester Formula: C18H21IO3 MolecularWeight: 412.26201

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1I)CC(=O)C2=CCCCC2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1I)CC(=O)C2=CCCCC2

InChI

InChI=1S/C18H21IO3/c1-22-18(21)15(11-14-9-5-6-10-16(14)19)12-17(20)13-7-3-2-4-8-13/h5-7,9-10,15H,2-4,8,11-12H2,1H3