[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C16H18INO3 MolecularWeight: 399.22349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2CCC=CC2

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)[C@H]2CCC=CC2

InChI

InChI=1S/C16H18INO3/c1-11-9-13(17)7-8-14(11)18-15(19)10-21-16(20)12-5-3-2-4-6-12/h2-3,7-9,12H,4-6,10H2,1H3,(H,18,19)/t12-/m1/s1